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13 molecules are shown

Wt: 450.5
BDBM28664
Wt: 450.5
BDBM28665
Wt: 470.9
BDBM28666
Wt: 515.3
BDBM28667
Wt: 454.4
BDBM28668
Wt: 504.4
BDBM28669
Wt: 515.3
BDBM28670
Wt: 450.5
BDBM28671
Wt: 486.9
BDBM28673
Wt: 500.9
BDBM28676
Wt: 488.9
BDBM28677
Wt: 505.3
BDBM28678
Wt: 519.3
BDBM28679

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 78 hits for monomerid = 28664,28665,28666,28667,28668,28669,28670,28671,28673,28676,28677,28678,28679   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
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))
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))
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))
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



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))
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



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))
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))
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 alpha (PPAR alpha)


(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 1.00E+4n/an/an/an/an/an/a



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))
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 6.31E+3n/an/an/an/an/an/a



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))
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 7.94E+3n/an/an/an/an/an/a



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))
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 1.00E+4n/an/an/an/an/an/a



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


(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/an/an/a



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


(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 5.01E+3n/an/an/an/an/an/a



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


(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 3.98E+3n/an/an/an/an/an/a



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


(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 2.51E+3n/an/an/an/an/an/a



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


(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/an/an/a



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


(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 3.16E+3n/an/an/an/an/an/a



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


(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 3.98E+3n/an/an/an/an/an/a



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


(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/an/an/a



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


(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 5.01E+3n/an/an/an/an/an/a



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


(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 6.31E+3n/an/an/an/an/an/a



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


(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 3.16E+3n/an/an/an/an/an/a



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


(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 3.98E+3n/an/an/an/an/an/a



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


(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 5.01E+3n/an/an/an/an/an/a



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))
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 1.00E+4n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
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/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(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 6.31E+3n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(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 1.00E+4n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
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/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(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 6.31E+3n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(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 7.94E+3n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
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/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(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 3.98E+3n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
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/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(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 3.16E+3n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
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