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Compile Data Set for Download or QSAR

Found 12292 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor'   
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 delta (PPAR delta)


(Homo sapiens (Human))
BDBM28661
PNG
(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)
Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
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PubMed
n/an/a 5n/a 3n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28673
PNG
(5-chloro-2-({3-[(5-hydroxy-1,2,3,4-tetrahydroisoqu...)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(O)cccc2C1
Show InChI InChI=1S/C23H19ClN2O6S/c24-16-7-8-20(19(12-16)23(29)30)25-22(28)14-3-1-5-17(11-14)33(31,32)26-10-9-18-15(13-26)4-2-6-21(18)27/h1-8,11-12,27H,9-10,13H2,(H,25,28)(H,29,30)
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n/an/a>1.00E+4n/an/an/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM28664
PNG
(2-methyl-6-{[3-(1,2,3,4-tetrahydroisoquinoline-2-s...)
Show SMILES Cc1cccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCc3ccccc3C2)c1C(O)=O
Show InChI InChI=1S/C24H22N2O5S/c1-16-6-4-11-21(22(16)24(28)29)25-23(27)18-9-5-10-20(14-18)32(30,31)26-13-12-17-7-2-3-8-19(17)15-26/h2-11,14H,12-13,15H2,1H3,(H,25,27)(H,28,29)
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n/an/a>1.00E+4n/a>1.00E+4n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM28665
PNG
(5-methyl-2-{[3-(1,2,3,4-tetrahydroisoquinoline-2-s...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCc3ccccc3C2)c(c1)C(O)=O
Show InChI InChI=1S/C24H22N2O5S/c1-16-9-10-22(21(13-16)24(28)29)25-23(27)18-7-4-8-20(14-18)32(30,31)26-12-11-17-5-2-3-6-19(17)15-26/h2-10,13-14H,11-12,15H2,1H3,(H,25,27)(H,28,29)
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n/an/a 13n/a 200n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM28666
PNG
(5-chloro-2-{[3-(1,2,3,4-tetrahydroisoquinoline-2-s...)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C23H19ClN2O5S/c24-18-8-9-21(20(13-18)23(28)29)25-22(27)16-6-3-7-19(12-16)32(30,31)26-11-10-15-4-1-2-5-17(15)14-26/h1-9,12-13H,10-11,14H2,(H,25,27)(H,28,29)
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n/an/a 8n/a 126n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM28667
PNG
(5-bromo-2-{[3-(1,2,3,4-tetrahydroisoquinoline-2-su...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C23H19BrN2O5S/c24-18-8-9-21(20(13-18)23(28)29)25-22(27)16-6-3-7-19(12-16)32(30,31)26-11-10-15-4-1-2-5-17(15)14-26/h1-9,12-13H,10-11,14H2,(H,25,27)(H,28,29)
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n/an/a 8n/a 200n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM28668
PNG
(5-fluoro-2-{[3-(1,2,3,4-tetrahydroisoquinoline-2-s...)
Show SMILES OC(=O)c1cc(F)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C23H19FN2O5S/c24-18-8-9-21(20(13-18)23(28)29)25-22(27)16-6-3-7-19(12-16)32(30,31)26-11-10-15-4-1-2-5-17(15)14-26/h1-9,12-13H,10-11,14H2,(H,25,27)(H,28,29)
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n/an/a 25n/a 501n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM28669
PNG
(2-{[3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)b...)
Show SMILES OC(=O)c1cc(ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1)C(F)(F)F
Show InChI InChI=1S/C24H19F3N2O5S/c25-24(26,27)18-8-9-21(20(13-18)23(31)32)28-22(30)16-6-3-7-19(12-16)35(33,34)29-11-10-15-4-1-2-5-17(15)14-29/h1-9,12-13H,10-11,14H2,(H,28,30)(H,31,32)
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n/an/a 5n/a 158n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM28670
PNG
(4-bromo-2-{[3-(1,2,3,4-tetrahydroisoquinoline-2-su...)
Show SMILES OC(=O)c1ccc(Br)cc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C23H19BrN2O5S/c24-18-8-9-20(23(28)29)21(13-18)25-22(27)16-6-3-7-19(12-16)32(30,31)26-11-10-15-4-1-2-5-17(15)14-26/h1-9,12-13H,10-11,14H2,(H,25,27)(H,28,29)
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n/an/a 5n/a 158n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM28671
PNG
(3-methyl-2-{[3-(1,2,3,4-tetrahydroisoquinoline-2-s...)
Show SMILES Cc1cccc(C(O)=O)c1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C24H22N2O5S/c1-16-6-4-11-21(24(28)29)22(16)25-23(27)18-9-5-10-20(14-18)32(30,31)26-13-12-17-7-2-3-8-19(17)15-26/h2-11,14H,12-13,15H2,1H3,(H,25,27)(H,28,29)
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n/an/a>1.00E+4n/a>1.00E+4n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM28672
PNG
(5-chloro-2-({3-[(5-methoxy-1,2,3,4-tetrahydroisoqu...)
Show SMILES COc1cccc2CN(CCc12)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C24H21ClN2O6S/c1-33-22-7-3-5-16-14-27(11-10-19(16)22)34(31,32)18-6-2-4-15(12-18)23(28)26-21-9-8-17(25)13-20(21)24(29)30/h2-9,12-13H,10-11,14H2,1H3,(H,26,28)(H,29,30)
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n/an/a 13n/a 1.26E+3n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM28673
PNG
(5-chloro-2-({3-[(5-hydroxy-1,2,3,4-tetrahydroisoqu...)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(O)cccc2C1
Show InChI InChI=1S/C23H19ClN2O6S/c24-16-7-8-20(19(12-16)23(29)30)25-22(28)14-3-1-5-17(11-14)33(31,32)26-10-9-18-15(13-26)4-2-6-21(18)27/h1-8,11-12,27H,9-10,13H2,(H,25,28)(H,29,30)
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n/an/a 20n/a 2.00E+3n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM28674
PNG
(2-({3-[(2-carboxy-4-chlorophenyl)carbamoyl]benzene...)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(C1)cccc2C(O)=O
Show InChI InChI=1S/C24H19ClN2O7S/c25-16-7-8-21(20(12-16)24(31)32)26-22(28)14-3-1-5-17(11-14)35(33,34)27-10-9-18-15(13-27)4-2-6-19(18)23(29)30/h1-8,11-12H,9-10,13H2,(H,26,28)(H,29,30)(H,31,32)
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n/an/a 4n/a 1.26E+3n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM28675
PNG
(2-[(3-{[5-(carboxymethoxy)-1,2,3,4-tetrahydroisoqu...)
Show SMILES OC(=O)COc1cccc2CN(CCc12)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C25H21ClN2O8S/c26-17-7-8-21(20(12-17)25(32)33)27-24(31)15-3-1-5-18(11-15)37(34,35)28-10-9-19-16(13-28)4-2-6-22(19)36-14-23(29)30/h1-8,11-12H,9-10,13-14H2,(H,27,31)(H,29,30)(H,32,33)
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n/an/a 10n/a>1.00E+4n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM28676
PNG
(5-chloro-2-({3-[(6-methoxy-1,2,3,4-tetrahydroisoqu...)
Show SMILES COc1ccc2CN(CCc2c1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C24H21ClN2O6S/c1-33-19-7-5-17-14-27(10-9-15(17)11-19)34(31,32)20-4-2-3-16(12-20)23(28)26-22-8-6-18(25)13-21(22)24(29)30/h2-8,11-13H,9-10,14H2,1H3,(H,26,28)(H,29,30)
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n/an/a 10n/a 794n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM28677
PNG
(5-chloro-2-({3-[(7-fluoro-1,2,3,4-tetrahydroisoqui...)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(F)cc2C1
Show InChI InChI=1S/C23H18ClFN2O5S/c24-17-5-7-21(20(12-17)23(29)30)26-22(28)15-2-1-3-19(11-15)33(31,32)27-9-8-14-4-6-18(25)10-16(14)13-27/h1-7,10-12H,8-9,13H2,(H,26,28)(H,29,30)
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n/an/a 16n/a 1.00E+3n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM28678
PNG
(5-chloro-2-({3-[(7-chloro-1,2,3,4-tetrahydroisoqui...)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(Cl)cc2C1
Show InChI InChI=1S/C23H18Cl2N2O5S/c24-17-5-4-14-8-9-27(13-16(14)10-17)33(31,32)19-3-1-2-15(11-19)22(28)26-21-7-6-18(25)12-20(21)23(29)30/h1-7,10-12H,8-9,13H2,(H,26,28)(H,29,30)
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n/an/a 25n/a 794n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM28679
PNG
(5-chloro-2-({3-[(7-chloro-8-methyl-1,2,3,4-tetrahy...)
Show SMILES Cc1c(Cl)ccc2CCN(Cc12)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C24H20Cl2N2O5S/c1-14-20-13-28(10-9-15(20)5-7-21(14)26)34(32,33)18-4-2-3-16(11-18)23(29)27-22-8-6-17(25)12-19(22)24(30)31/h2-8,11-12H,9-10,13H2,1H3,(H,27,29)(H,30,31)
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n/an/a 16n/a 316n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28661
PNG
(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)
Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
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n/an/a 2.00E+3n/an/an/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28663
PNG
(2-{[3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)b...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C23H20N2O5S/c26-22(24-21-11-4-3-10-20(21)23(27)28)17-8-5-9-19(14-17)31(29,30)25-13-12-16-6-1-2-7-18(16)15-25/h1-11,14H,12-13,15H2,(H,24,26)(H,27,28)
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n/an/a>1.00E+4n/an/an/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28664
PNG
(2-methyl-6-{[3-(1,2,3,4-tetrahydroisoquinoline-2-s...)
Show SMILES Cc1cccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCc3ccccc3C2)c1C(O)=O
Show InChI InChI=1S/C24H22N2O5S/c1-16-6-4-11-21(22(16)24(28)29)25-23(27)18-9-5-10-20(14-18)32(30,31)26-13-12-17-7-2-3-8-19(17)15-26/h2-11,14H,12-13,15H2,1H3,(H,25,27)(H,28,29)
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n/an/a>1.00E+4n/an/an/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28665
PNG
(5-methyl-2-{[3-(1,2,3,4-tetrahydroisoquinoline-2-s...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCc3ccccc3C2)c(c1)C(O)=O
Show InChI InChI=1S/C24H22N2O5S/c1-16-9-10-22(21(13-16)24(28)29)25-23(27)18-7-4-8-20(14-18)32(30,31)26-12-11-17-5-2-3-6-19(17)15-26/h2-10,13-14H,11-12,15H2,1H3,(H,25,27)(H,28,29)
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n/an/a 1.00E+4n/an/an/an/a7.022



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Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28666
PNG
(5-chloro-2-{[3-(1,2,3,4-tetrahydroisoquinoline-2-s...)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C23H19ClN2O5S/c24-18-8-9-21(20(13-18)23(28)29)25-22(27)16-6-3-7-19(12-16)32(30,31)26-11-10-15-4-1-2-5-17(15)14-26/h1-9,12-13H,10-11,14H2,(H,25,27)(H,28,29)
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n/an/a 5.01E+3n/an/an/an/a7.022



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Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28667
PNG
(5-bromo-2-{[3-(1,2,3,4-tetrahydroisoquinoline-2-su...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C23H19BrN2O5S/c24-18-8-9-21(20(13-18)23(28)29)25-22(27)16-6-3-7-19(12-16)32(30,31)26-11-10-15-4-1-2-5-17(15)14-26/h1-9,12-13H,10-11,14H2,(H,25,27)(H,28,29)
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n/an/a 3.98E+3n/an/an/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28668
PNG
(5-fluoro-2-{[3-(1,2,3,4-tetrahydroisoquinoline-2-s...)
Show SMILES OC(=O)c1cc(F)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C23H19FN2O5S/c24-18-8-9-21(20(13-18)23(28)29)25-22(27)16-6-3-7-19(12-16)32(30,31)26-11-10-15-4-1-2-5-17(15)14-26/h1-9,12-13H,10-11,14H2,(H,25,27)(H,28,29)
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n/an/a 6.31E+3n/an/an/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28669
PNG
(2-{[3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)b...)
Show SMILES OC(=O)c1cc(ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1)C(F)(F)F
Show InChI InChI=1S/C24H19F3N2O5S/c25-24(26,27)18-8-9-21(20(13-18)23(31)32)28-22(30)16-6-3-7-19(12-16)35(33,34)29-11-10-15-4-1-2-5-17(15)14-29/h1-9,12-13H,10-11,14H2,(H,28,30)(H,31,32)
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n/an/a 1.59E+3n/an/an/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28670
PNG
(4-bromo-2-{[3-(1,2,3,4-tetrahydroisoquinoline-2-su...)
Show SMILES OC(=O)c1ccc(Br)cc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C23H19BrN2O5S/c24-18-8-9-20(23(28)29)21(13-18)25-22(27)16-6-3-7-19(12-16)32(30,31)26-11-10-15-4-1-2-5-17(15)14-26/h1-9,12-13H,10-11,14H2,(H,25,27)(H,28,29)
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n/an/a 5.01E+3n/an/an/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28671
PNG
(3-methyl-2-{[3-(1,2,3,4-tetrahydroisoquinoline-2-s...)
Show SMILES Cc1cccc(C(O)=O)c1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C24H22N2O5S/c1-16-6-4-11-21(24(28)29)22(16)25-23(27)18-9-5-10-20(14-18)32(30,31)26-13-12-17-7-2-3-8-19(17)15-26/h2-11,14H,12-13,15H2,1H3,(H,25,27)(H,28,29)
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n/an/a>1.00E+4n/an/an/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28672
PNG
(5-chloro-2-({3-[(5-methoxy-1,2,3,4-tetrahydroisoqu...)
Show SMILES COc1cccc2CN(CCc12)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C24H21ClN2O6S/c1-33-22-7-3-5-16-14-27(11-10-19(16)22)34(31,32)18-6-2-4-15(12-18)23(28)26-21-9-8-17(25)13-20(21)24(29)30/h2-9,12-13H,10-11,14H2,1H3,(H,26,28)(H,29,30)
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n/an/a 7.94E+3n/an/an/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM28663
PNG
(2-{[3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)b...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C23H20N2O5S/c26-22(24-21-11-4-3-10-20(21)23(27)28)17-8-5-9-19(14-17)31(29,30)25-13-12-16-6-1-2-7-18(16)15-25/h1-11,14H,12-13,15H2,(H,24,26)(H,27,28)
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n/an/a 126n/a 1.26E+3n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM29868
PNG
(alkynyl ether, 10)
Show SMILES Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#C)ccc1OCC(O)=O
Show InChI InChI=1S/C27H23F3O5S/c1-4-13-33-23-14-19(15-34-21-8-6-20(7-9-21)27(28,29)30)5-11-25(23)36-24-12-10-22(17(2)18(24)3)35-16-26(31)32/h1,5-12,14H,13,15-16H2,2-3H3,(H,31,32)
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210 -37.7n/an/a 6.10E+3n/an/a7.122



Amgen



Assay Description
The human PPARalpha ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM29890
PNG
(alkynyl ether, 32)
Show SMILES CCC#CCOc1cc(COc2ccc(Cl)cc2C)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C31H31ClO5S/c1-3-4-7-16-35-28-18-22(19-36-26-12-11-23(32)17-21(26)2)10-14-30(28)38-29-15-13-27(37-20-31(33)34)24-8-5-6-9-25(24)29/h10-15,17-18H,3,5-6,8-9,16,19-20H2,1-2H3,(H,33,34)
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800 -34.4n/an/a>1.00E+5n/an/a7.122



Amgen



Assay Description
The human PPARalpha ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM29879
PNG
(alkynyl ether, 21)
Show SMILES CCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C31H29F3O5S/c1-2-3-6-17-37-27-18-21(19-38-23-12-10-22(11-13-23)31(32,33)34)9-15-29(27)40-28-16-14-26(39-20-30(35)36)24-7-4-5-8-25(24)28/h9-16,18H,2,4-5,7-8,17,19-20H2,1H3,(H,35,36)
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880 -34.2n/an/a>1.00E+5n/an/a7.122



Amgen



Assay Description
The human PPARalpha ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM29888
PNG
(alkynyl ether, 30)
Show SMILES CCC#CCOc1cc(COc2ccccc2C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C31H29F3O5S/c1-2-3-8-17-37-27-18-21(19-38-26-12-7-6-11-24(26)31(32,33)34)13-15-29(27)40-28-16-14-25(39-20-30(35)36)22-9-4-5-10-23(22)28/h6-7,11-16,18H,2,4-5,9-10,17,19-20H2,1H3,(H,35,36)
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930 -34.1n/an/a>1.00E+5n/an/a7.122



Amgen



Assay Description
The human PPARalpha ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM29871
PNG
(phenoxyacetic acid-ether, 13)
Show SMILES Cc1cc(COc2cc(COc3ccc(cc3)C(F)(F)F)ccc2Sc2ccc(OCC(O)=O)c(C)c2C)no1
Show InChI InChI=1S/C29H26F3NO6S/c1-17-12-22(33-39-17)15-37-25-13-20(14-36-23-7-5-21(6-8-23)29(30,31)32)4-10-27(25)40-26-11-9-24(18(2)19(26)3)38-16-28(34)35/h4-13H,14-16H2,1-3H3,(H,34,35)
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940 -34.1n/an/a>1.00E+4n/an/a7.122



Amgen



Assay Description
The human PPARalpha ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM29877
PNG
(alkynyl ether, 19)
Show SMILES OC(=O)COc1ccc(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#C)c2CCCCc12
Show InChI InChI=1S/C29H25F3O5S/c1-2-15-35-25-16-19(17-36-21-10-8-20(9-11-21)29(30,31)32)7-13-27(25)38-26-14-12-24(37-18-28(33)34)22-5-3-4-6-23(22)26/h1,7-14,16H,3-6,15,17-18H2,(H,33,34)
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960 -34.0n/an/a 3.90E+3n/an/a7.122



Amgen



Assay Description
The human PPARalpha ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM29886
PNG
(alkynyl ether, 28)
Show SMILES OC(=O)COc1ccc(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#Cc2cccnc2)c2CCCCc12
Show InChI InChI=1S/C34H28F3NO5S/c35-34(36,37)25-10-12-26(13-11-25)42-21-24-9-15-32(30(19-24)41-18-4-6-23-5-3-17-38-20-23)44-31-16-14-29(43-22-33(39)40)27-7-1-2-8-28(27)31/h3,5,9-17,19-20H,1-2,7-8,18,21-22H2,(H,39,40)
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1.00E+3 -33.9n/an/a>1.00E+5n/an/a7.122



Amgen



Assay Description
The human PPARalpha ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM29874
PNG
(phenoxyacetic acid-ether, 16)
Show SMILES Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC2CCCO2)ccc1OCC(O)=O
Show InChI InChI=1S/C29H29F3O6S/c1-18-19(2)26(12-10-24(18)38-17-28(33)34)39-27-11-5-20(14-25(27)37-16-23-4-3-13-35-23)15-36-22-8-6-21(7-9-22)29(30,31)32/h5-12,14,23H,3-4,13,15-17H2,1-2H3,(H,33,34)
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1.10E+3 -33.7n/an/a>1.00E+4n/an/a7.122



Amgen



Assay Description
The human PPARalpha ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM29878
PNG
(alkynyl ether, 20)
Show SMILES CC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C30H27F3O5S/c1-2-3-16-36-26-17-20(18-37-22-11-9-21(10-12-22)30(31,32)33)8-14-28(26)39-27-15-13-25(38-19-29(34)35)23-6-4-5-7-24(23)27/h8-15,17H,4-7,16,18-19H2,1H3,(H,34,35)
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1.10E+3 -33.7n/an/a>1.00E+5n/an/a7.122



Amgen



Assay Description
The human PPARalpha ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM29870
PNG
(phenoxyacetic acid-ether, 12)
Show SMILES Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#N)ccc1OCC(O)=O
Show InChI InChI=1S/C26H22F3NO5S/c1-16-17(2)23(10-8-21(16)35-15-25(31)32)36-24-9-3-18(13-22(24)33-12-11-30)14-34-20-6-4-19(5-7-20)26(27,28)29/h3-10,13H,12,14-15H2,1-2H3,(H,31,32)
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1.20E+3 -33.5n/an/a>1.00E+4n/an/a7.122



Amgen



Assay Description
The human PPARalpha ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM29875
PNG
(phenoxyacetic acid-ether, 17)
Show SMILES Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCCN2CCOCC2)ccc1OCC(O)=O
Show InChI InChI=1S/C30H32F3NO6S/c1-20-21(2)27(10-8-25(20)40-19-29(35)36)41-28-9-3-22(17-26(28)38-16-13-34-11-14-37-15-12-34)18-39-24-6-4-23(5-7-24)30(31,32)33/h3-10,17H,11-16,18-19H2,1-2H3,(H,35,36)
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1.20E+3 -33.5n/an/a>1.00E+4n/an/a7.122



Amgen



Assay Description
The human PPARalpha ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM29867
PNG
(phenoxyacetic acid-ether, 9)
Show SMILES COCCCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c(C)c1C
Show InChI InChI=1S/C28H29F3O6S/c1-18-19(2)25(12-10-23(18)37-17-27(32)33)38-26-11-5-20(15-24(26)35-14-4-13-34-3)16-36-22-8-6-21(7-9-22)28(29,30)31/h5-12,15H,4,13-14,16-17H2,1-3H3,(H,32,33)
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1.20E+3 -33.5n/an/a>1.00E+4n/an/a7.122



Amgen



Assay Description
The human PPARalpha ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM29873
PNG
(phenoxyacetic acid-ether, 15)
Show SMILES Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCc2ccncc2)ccc1OCC(O)=O
Show InChI InChI=1S/C30H26F3NO5S/c1-19-20(2)27(10-8-25(19)39-18-29(35)36)40-28-9-3-22(15-26(28)38-16-21-11-13-34-14-12-21)17-37-24-6-4-23(5-7-24)30(31,32)33/h3-15H,16-18H2,1-2H3,(H,35,36)
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1.30E+3 -33.3n/an/a>1.00E+4n/an/a7.122



Amgen



Assay Description
The human PPARalpha ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM29872
PNG
(phenoxyacetic acid-ether, 14)
Show SMILES Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCc2cccnc2)ccc1OCC(O)=O
Show InChI InChI=1S/C30H26F3NO5S/c1-19-20(2)27(12-10-25(19)39-18-29(35)36)40-28-11-5-21(14-26(28)38-17-22-4-3-13-34-15-22)16-37-24-8-6-23(7-9-24)30(31,32)33/h3-15H,16-18H2,1-2H3,(H,35,36)
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1.30E+3 -33.3n/an/a>1.00E+4n/an/a7.122



Amgen



Assay Description
The human PPARalpha ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM29887
PNG
(alkynyl ether, 29)
Show SMILES CCC#CCOc1cc(COc2cccc(c2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C31H29F3O5S/c1-2-3-6-16-37-27-17-21(19-38-23-9-7-8-22(18-23)31(32,33)34)12-14-29(27)40-28-15-13-26(39-20-30(35)36)24-10-4-5-11-25(24)28/h7-9,12-15,17-18H,2,4-5,10-11,16,19-20H2,1H3,(H,35,36)
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1.30E+3 -33.3n/an/a>1.00E+5n/an/a7.122



Amgen



Assay Description
The human PPARalpha ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM29869
PNG
(phenoxyacetic acid-ether, 11)
Show SMILES COCCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c(C)c1C
Show InChI InChI=1S/C27H27F3O6S/c1-17-18(2)24(11-9-22(17)36-16-26(31)32)37-25-10-4-19(14-23(25)34-13-12-33-3)15-35-21-7-5-20(6-8-21)27(28,29)30/h4-11,14H,12-13,15-16H2,1-3H3,(H,31,32)
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1.30E+3 -33.3n/an/a>1.00E+4n/an/a7.122



Amgen



Assay Description
The human PPARalpha ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM29882
PNG
(alkynyl ether, 24)
Show SMILES OCCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C31H29F3O6S/c32-31(33,34)22-9-11-23(12-10-22)39-19-21-8-14-29(27(18-21)38-17-5-1-4-16-35)41-28-15-13-26(40-20-30(36)37)24-6-2-3-7-25(24)28/h8-15,18,35H,2-4,6-7,16-17,19-20H2,(H,36,37)
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1.70E+3 -32.6n/an/a>1.00E+5n/an/a7.122



Amgen



Assay Description
The human PPARalpha ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM29881
PNG
(alkynyl ether, 23)
Show SMILES OCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C30H27F3O6S/c31-30(32,33)21-8-10-22(11-9-21)38-18-20-7-13-28(26(17-20)37-16-4-3-15-34)40-27-14-12-25(39-19-29(35)36)23-5-1-2-6-24(23)27/h7-14,17,34H,1-2,5-6,15-16,18-19H2,(H,35,36)
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1.70E+3 -32.6n/an/a>1.00E+5n/an/a7.122



Amgen



Assay Description
The human PPARalpha ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM29885
PNG
(alkynyl ether, 27)
Show SMILES COCCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C32H31F3O6S/c1-38-17-5-2-6-18-39-28-19-22(20-40-24-12-10-23(11-13-24)32(33,34)35)9-15-30(28)42-29-16-14-27(41-21-31(36)37)25-7-3-4-8-26(25)29/h9-16,19H,3-5,7-8,17-18,20-21H2,1H3,(H,36,37)
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1.70E+3 -32.6n/an/a>1.00E+5n/an/a7.122



Amgen



Assay Description
The human PPARalpha ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM29880
PNG
(alkynyl ether, 22)
Show SMILES CC(C)(O)C#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C32H31F3O6S/c1-31(2,38)16-5-17-39-27-18-21(19-40-23-11-9-22(10-12-23)32(33,34)35)8-14-29(27)42-28-15-13-26(41-20-30(36)37)24-6-3-4-7-25(24)28/h8-15,18,38H,3-4,6-7,17,19-20H2,1-2H3,(H,36,37)
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1.90E+3 -32.3n/an/a>1.00E+5n/an/a7.122



Amgen



Assay Description
The human PPARalpha ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
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