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Compile Data Set for Download or QSAR

Found 74 hits with Last Name = 'boakye' and Initial = 'k'   
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


(Homo sapiens (Human))
BDBM50200411
PNG
((S)-2-(5-(3-((2-(4-ethylphenyl)-5-methylpyrimidin-...)
Show SMILES CCc1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C28H33N3O3/c1-4-20-6-8-21(9-7-20)27-29-18-19(2)28(30-27)31(3)14-5-15-34-24-12-13-25-22(16-24)10-11-23(25)17-26(32)33/h6-9,12-13,16,18,23H,4-5,10-11,14-15,17H2,1-3H3,(H,32,33)/t23-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Activity at human PPARdelta expressed in CV1 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50200403
PNG
((S)-2-(5-(3-((2-(4-isopropylphenyl)-5-methylpyrimi...)
Show SMILES CC(C)c1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C29H35N3O3/c1-19(2)21-6-8-22(9-7-21)28-30-18-20(3)29(31-28)32(4)14-5-15-35-25-12-13-26-23(16-25)10-11-24(26)17-27(33)34/h6-9,12-13,16,18-19,24H,5,10-11,14-15,17H2,1-4H3,(H,33,34)/t24-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Activity at human PPARdelta expressed in CV1 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50200402
PNG
(2-((S)-5-(3-(5-(5-acetyl-4-methylthiazol-2-yl)pyri...)
Show SMILES CC(=O)c1sc(nc1C)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)nc1
Show InChI InChI=1S/C25H26N2O5S/c1-15-24(16(2)28)33-25(27-15)19-6-9-22(26-14-19)32-11-3-10-31-20-7-8-21-17(12-20)4-5-18(21)13-23(29)30/h6-9,12,14,18H,3-5,10-11,13H2,1-2H3,(H,29,30)/t18-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Activity at human PPARdelta expressed in CV1 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50200411
PNG
((S)-2-(5-(3-((2-(4-ethylphenyl)-5-methylpyrimidin-...)
Show SMILES CCc1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C28H33N3O3/c1-4-20-6-8-21(9-7-20)27-29-18-19(2)28(30-27)31(3)14-5-15-34-24-12-13-25-22(16-24)10-11-23(25)17-26(32)33/h6-9,12-13,16,18,23H,4-5,10-11,14-15,17H2,1-3H3,(H,32,33)/t23-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Activity at human PPARalpha expressed in CV1 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50200403
PNG
((S)-2-(5-(3-((2-(4-isopropylphenyl)-5-methylpyrimi...)
Show SMILES CC(C)c1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C29H35N3O3/c1-19(2)21-6-8-22(9-7-21)28-30-18-20(3)29(31-28)32(4)14-5-15-35-25-12-13-26-23(16-25)10-11-24(26)17-27(33)34/h6-9,12-13,16,18-19,24H,5,10-11,14-15,17H2,1-4H3,(H,33,34)/t24-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Activity at human PPARalpha expressed in CV1 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50200411
PNG
((S)-2-(5-(3-((2-(4-ethylphenyl)-5-methylpyrimidin-...)
Show SMILES CCc1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C28H33N3O3/c1-4-20-6-8-21(9-7-20)27-29-18-19(2)28(30-27)31(3)14-5-15-34-24-12-13-25-22(16-24)10-11-23(25)17-26(32)33/h6-9,12-13,16,18,23H,4-5,10-11,14-15,17H2,1-3H3,(H,32,33)/t23-/m0/s1
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n/an/a 370n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Activity at mouse PPARdelta expressed in CV1 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50200403
PNG
((S)-2-(5-(3-((2-(4-isopropylphenyl)-5-methylpyrimi...)
Show SMILES CC(C)c1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C29H35N3O3/c1-19(2)21-6-8-22(9-7-21)28-30-18-20(3)29(31-28)32(4)14-5-15-35-25-12-13-26-23(16-25)10-11-24(26)17-27(33)34/h6-9,12-13,16,18-19,24H,5,10-11,14-15,17H2,1-4H3,(H,33,34)/t24-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Activity at mouse PPARdelta expressed in CV1 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50200411
PNG
((S)-2-(5-(3-((2-(4-ethylphenyl)-5-methylpyrimidin-...)
Show SMILES CCc1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C28H33N3O3/c1-4-20-6-8-21(9-7-20)27-29-18-19(2)28(30-27)31(3)14-5-15-34-24-12-13-25-22(16-24)10-11-23(25)17-26(32)33/h6-9,12-13,16,18,23H,4-5,10-11,14-15,17H2,1-3H3,(H,32,33)/t23-/m0/s1
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n/an/a 670n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Activity at mouse PPARalpha expressed in CV1 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50200402
PNG
(2-((S)-5-(3-(5-(5-acetyl-4-methylthiazol-2-yl)pyri...)
Show SMILES CC(=O)c1sc(nc1C)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)nc1
Show InChI InChI=1S/C25H26N2O5S/c1-15-24(16(2)28)33-25(27-15)19-6-9-22(26-14-19)32-11-3-10-31-20-7-8-21-17(12-20)4-5-18(21)13-23(29)30/h6-9,12,14,18H,3-5,10-11,13H2,1-2H3,(H,29,30)/t18-/m0/s1
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n/an/a 1.39E+3n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Activity at mouse PPARdelta expressed in CV1 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50200403
PNG
((S)-2-(5-(3-((2-(4-isopropylphenyl)-5-methylpyrimi...)
Show SMILES CC(C)c1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C29H35N3O3/c1-19(2)21-6-8-22(9-7-21)28-30-18-20(3)29(31-28)32(4)14-5-15-35-25-12-13-26-23(16-25)10-11-24(26)17-27(33)34/h6-9,12-13,16,18-19,24H,5,10-11,14-15,17H2,1-4H3,(H,33,34)/t24-/m0/s1
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n/an/a 2.53E+3n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Activity at mouse PPARalpha expressed in CV1 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50200402
PNG
(2-((S)-5-(3-(5-(5-acetyl-4-methylthiazol-2-yl)pyri...)
Show SMILES CC(=O)c1sc(nc1C)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)nc1
Show InChI InChI=1S/C25H26N2O5S/c1-15-24(16(2)28)33-25(27-15)19-6-9-22(26-14-19)32-11-3-10-31-20-7-8-21-17(12-20)4-5-18(21)13-23(29)30/h6-9,12,14,18H,3-5,10-11,13H2,1-2H3,(H,29,30)/t18-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Activity at human PPARalpha expressed in CV1 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50200399
PNG
((S)-2-(5-(3-((2-(4-ethylphenyl)pyrimidin-4-yl)(met...)
Show SMILES CCc1ccc(cc1)-c1nccc(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C27H31N3O3/c1-3-19-5-7-20(8-6-19)27-28-14-13-25(29-27)30(2)15-4-16-33-23-11-12-24-21(17-23)9-10-22(24)18-26(31)32/h5-8,11-14,17,22H,3-4,9-10,15-16,18H2,1-2H3,(H,31,32)/t22-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma in mouse 3T3-L1 cells by IRBA


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50200400
PNG
(2-((S)-5-(3-(5-(4,5-dimethylthiazol-2-yl)pyridin-2...)
Show SMILES Cc1nc(sc1C)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)nc1
Show InChI InChI=1S/C24H26N2O4S/c1-15-16(2)31-24(26-15)19-6-9-22(25-14-19)30-11-3-10-29-20-7-8-21-17(12-20)4-5-18(21)13-23(27)28/h6-9,12,14,18H,3-5,10-11,13H2,1-2H3,(H,27,28)/t18-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta by FRET assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50200401
PNG
(2-((S)-5-(3-(methyl(5-methyl-2-m-tolylpyrimidin-4-...)
Show SMILES CN(CCCOc1ccc2[C@H](CC(O)=O)CCc2c1)c1nc(ncc1C)-c1cccc(C)c1
Show InChI InChI=1S/C27H31N3O3/c1-18-6-4-7-22(14-18)26-28-17-19(2)27(29-26)30(3)12-5-13-33-23-10-11-24-20(15-23)8-9-21(24)16-25(31)32/h4,6-7,10-11,14-15,17,21H,5,8-9,12-13,16H2,1-3H3,(H,31,32)/t21-/m0/s1
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n/an/an/an/a 41n/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta by FRET assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50200403
PNG
((S)-2-(5-(3-((2-(4-isopropylphenyl)-5-methylpyrimi...)
Show SMILES CC(C)c1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C29H35N3O3/c1-19(2)21-6-8-22(9-7-21)28-30-18-20(3)29(31-28)32(4)14-5-15-35-25-12-13-26-23(16-25)10-11-24(26)17-27(33)34/h6-9,12-13,16,18-19,24H,5,10-11,14-15,17H2,1-4H3,(H,33,34)/t24-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma in mouse 3T3-L1 cells by IRBA


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50200402
PNG
(2-((S)-5-(3-(5-(5-acetyl-4-methylthiazol-2-yl)pyri...)
Show SMILES CC(=O)c1sc(nc1C)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)nc1
Show InChI InChI=1S/C25H26N2O5S/c1-15-24(16(2)28)33-25(27-15)19-6-9-22(26-14-19)32-11-3-10-31-20-7-8-21-17(12-20)4-5-18(21)13-23(29)30/h6-9,12,14,18H,3-5,10-11,13H2,1-2H3,(H,29,30)/t18-/m0/s1
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n/an/an/an/a 9n/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta by FRET assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50200404
PNG
((S)-2-(5-(3-((2-(4-ethylphenyl)-5-fluoropyrimidin-...)
Show SMILES CCc1ccc(cc1)-c1ncc(F)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C27H30FN3O3/c1-3-18-5-7-19(8-6-18)26-29-17-24(28)27(30-26)31(2)13-4-14-34-22-11-12-23-20(15-22)9-10-21(23)16-25(32)33/h5-8,11-12,15,17,21H,3-4,9-10,13-14,16H2,1-2H3,(H,32,33)/t21-/m0/s1
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n/an/an/an/a 425n/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha by FRET assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50200405
PNG
(2-((S)-5-(3-((2-(3-ethoxyphenyl)-5-methylpyrimidin...)
Show SMILES CCOc1cccc(c1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C28H33N3O4/c1-4-34-23-8-5-7-22(16-23)27-29-18-19(2)28(30-27)31(3)13-6-14-35-24-11-12-25-20(15-24)9-10-21(25)17-26(32)33/h5,7-8,11-12,15-16,18,21H,4,6,9-10,13-14,17H2,1-3H3,(H,32,33)/t21-/m0/s1
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n/an/an/an/a 3.54E+3n/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha by FRET assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50200406
PNG
((S)-2-(5-(3-((5-ethyl-2-(4-ethylphenyl)pyrimidin-4...)
Show SMILES CCc1ccc(cc1)-c1ncc(CC)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C29H35N3O3/c1-4-20-7-9-22(10-8-20)28-30-19-21(5-2)29(31-28)32(3)15-6-16-35-25-13-14-26-23(17-25)11-12-24(26)18-27(33)34/h7-10,13-14,17,19,24H,4-6,11-12,15-16,18H2,1-3H3,(H,33,34)/t24-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta by FRET assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50200408
PNG
((S)-2-(5-(3-(methyl(5-methyl-2-phenylpyrimidin-4-y...)
Show SMILES CN(CCCOc1ccc2[C@H](CC(O)=O)CCc2c1)c1nc(ncc1C)-c1ccccc1
Show InChI InChI=1S/C26H29N3O3/c1-18-17-27-25(19-7-4-3-5-8-19)28-26(18)29(2)13-6-14-32-22-11-12-23-20(15-22)9-10-21(23)16-24(30)31/h3-5,7-8,11-12,15,17,21H,6,9-10,13-14,16H2,1-2H3,(H,30,31)/t21-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta by FRET assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50200407
PNG
((S)-2-(5-(3-(methyl(5-methyl-2-p-tolylpyrimidin-4-...)
Show SMILES CN(CCCOc1ccc2[C@H](CC(O)=O)CCc2c1)c1nc(ncc1C)-c1ccc(C)cc1
Show InChI InChI=1S/C27H31N3O3/c1-18-5-7-20(8-6-18)26-28-17-19(2)27(29-26)30(3)13-4-14-33-23-11-12-24-21(15-23)9-10-22(24)16-25(31)32/h5-8,11-12,15,17,22H,4,9-10,13-14,16H2,1-3H3,(H,31,32)/t22-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta by FRET assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50200409
PNG
((S)-2-(5-(3-((2-(4-fluorophenyl)-5-methylpyrimidin...)
Show SMILES CN(CCCOc1ccc2[C@H](CC(O)=O)CCc2c1)c1nc(ncc1C)-c1ccc(F)cc1
Show InChI InChI=1S/C26H28FN3O3/c1-17-16-28-25(18-6-8-21(27)9-7-18)29-26(17)30(2)12-3-13-33-22-10-11-23-19(14-22)4-5-20(23)15-24(31)32/h6-11,14,16,20H,3-5,12-13,15H2,1-2H3,(H,31,32)/t20-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma in mouse 3T3-L1 cells by IRBA


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50200400
PNG
(2-((S)-5-(3-(5-(4,5-dimethylthiazol-2-yl)pyridin-2...)
Show SMILES Cc1nc(sc1C)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)nc1
Show InChI InChI=1S/C24H26N2O4S/c1-15-16(2)31-24(26-15)19-6-9-22(25-14-19)30-11-3-10-29-20-7-8-21-17(12-20)4-5-18(21)13-23(27)28/h6-9,12,14,18H,3-5,10-11,13H2,1-2H3,(H,27,28)/t18-/m0/s1
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n/an/an/an/a 6.78E+3n/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha by FRET assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50200410
PNG
((S)-2-(5-(3-((2-(4-tert-butylphenyl)-5-methylpyrim...)
Show SMILES CN(CCCOc1ccc2[C@H](CC(O)=O)CCc2c1)c1nc(ncc1C)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C30H37N3O3/c1-20-19-31-28(21-9-11-24(12-10-21)30(2,3)4)32-29(20)33(5)15-6-16-36-25-13-14-26-22(17-25)7-8-23(26)18-27(34)35/h9-14,17,19,23H,6-8,15-16,18H2,1-5H3,(H,34,35)/t23-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha by FRET assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50200406
PNG
((S)-2-(5-(3-((5-ethyl-2-(4-ethylphenyl)pyrimidin-4...)
Show SMILES CCc1ccc(cc1)-c1ncc(CC)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C29H35N3O3/c1-4-20-7-9-22(10-8-20)28-30-19-21(5-2)29(31-28)32(3)15-6-16-35-25-13-14-26-23(17-25)11-12-24(26)18-27(33)34/h7-10,13-14,17,19,24H,4-6,11-12,15-16,18H2,1-3H3,(H,33,34)/t24-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha by FRET assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50200412
PNG
(2-((S)-5-(3-(5-(4-ethoxythiazol-2-yl)pyridin-2-ylo...)
Show SMILES CCOc1csc(n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)nc1
Show InChI InChI=1S/C24H26N2O5S/c1-2-29-22-15-32-24(26-22)18-6-9-21(25-14-18)31-11-3-10-30-19-7-8-20-16(12-19)4-5-17(20)13-23(27)28/h6-9,12,14-15,17H,2-5,10-11,13H2,1H3,(H,27,28)/t17-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta by FRET assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50200413
PNG
(2-((S)-5-(3-((2-(3-chlorophenyl)-5-methylpyrimidin...)
Show SMILES CN(CCCOc1ccc2[C@H](CC(O)=O)CCc2c1)c1nc(ncc1C)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H28ClN3O3/c1-17-16-28-25(20-5-3-6-21(27)13-20)29-26(17)30(2)11-4-12-33-22-9-10-23-18(14-22)7-8-19(23)15-24(31)32/h3,5-6,9-10,13-14,16,19H,4,7-8,11-12,15H2,1-2H3,(H,31,32)/t19-/m0/s1
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n/an/an/an/a 2.37E+3n/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha by FRET assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50200415
PNG
((S)-2-(5-(3-((2-(4-acetylphenyl)-5-methylpyrimidin...)
Show SMILES CN(CCCOc1ccc2[C@H](CC(O)=O)CCc2c1)c1nc(ncc1C)-c1ccc(cc1)C(C)=O
Show InChI InChI=1S/C28H31N3O4/c1-18-17-29-27(21-7-5-20(6-8-21)19(2)32)30-28(18)31(3)13-4-14-35-24-11-12-25-22(15-24)9-10-23(25)16-26(33)34/h5-8,11-12,15,17,23H,4,9-10,13-14,16H2,1-3H3,(H,33,34)/t23-/m0/s1
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n/an/an/an/a 237n/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma in mouse 3T3-L1 cells by IRBA


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50200414
PNG
((S)-2-(5-(3-((2-(4-methoxyphenyl)-5-methylpyrimidi...)
Show SMILES COc1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C27H31N3O4/c1-18-17-28-26(19-7-9-22(33-3)10-8-19)29-27(18)30(2)13-4-14-34-23-11-12-24-20(15-23)5-6-21(24)16-25(31)32/h7-12,15,17,21H,4-6,13-14,16H2,1-3H3,(H,31,32)/t21-/m0/s1
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n/an/an/an/a 7.01E+3n/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma in mouse 3T3-L1 cells by IRBA


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50200416
PNG
((S)-2-(5-(3-((2-(4-ethoxyphenyl)-5-methylpyrimidin...)
Show SMILES CCOc1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C28H33N3O4/c1-4-34-23-10-8-20(9-11-23)27-29-18-19(2)28(30-27)31(3)14-5-15-35-24-12-13-25-21(16-24)6-7-22(25)17-26(32)33/h8-13,16,18,22H,4-7,14-15,17H2,1-3H3,(H,32,33)/t22-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma in mouse 3T3-L1 cells by IRBA


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50200401
PNG
(2-((S)-5-(3-(methyl(5-methyl-2-m-tolylpyrimidin-4-...)
Show SMILES CN(CCCOc1ccc2[C@H](CC(O)=O)CCc2c1)c1nc(ncc1C)-c1cccc(C)c1
Show InChI InChI=1S/C27H31N3O3/c1-18-6-4-7-22(14-18)26-28-17-19(2)27(29-26)30(3)12-5-13-33-23-10-11-24-20(15-23)8-9-21(24)16-25(31)32/h4,6-7,10-11,14-15,17,21H,5,8-9,12-13,16H2,1-3H3,(H,31,32)/t21-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma in mouse 3T3-L1 cells by IRBA


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50200418
PNG
((S)-2-(5-(3-((2-(4-ethylphenyl)-6-methylpyrimidin-...)
Show SMILES CCc1ccc(cc1)-c1nc(C)cc(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C28H33N3O3/c1-4-20-6-8-21(9-7-20)28-29-19(2)16-26(30-28)31(3)14-5-15-34-24-12-13-25-22(17-24)10-11-23(25)18-27(32)33/h6-9,12-13,16-17,23H,4-5,10-11,14-15,18H2,1-3H3,(H,32,33)/t23-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma in mouse 3T3-L1 cells by IRBA


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50200408
PNG
((S)-2-(5-(3-(methyl(5-methyl-2-phenylpyrimidin-4-y...)
Show SMILES CN(CCCOc1ccc2[C@H](CC(O)=O)CCc2c1)c1nc(ncc1C)-c1ccccc1
Show InChI InChI=1S/C26H29N3O3/c1-18-17-27-25(19-7-4-3-5-8-19)28-26(18)29(2)13-6-14-32-22-11-12-23-20(15-22)9-10-21(23)16-24(30)31/h3-5,7-8,11-12,15,17,21H,6,9-10,13-14,16H2,1-2H3,(H,30,31)/t21-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma in mouse 3T3-L1 cells by IRBA


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50200417
PNG
(2-((S)-5-(3-(5-(4-ethylthiazol-2-yl)pyridin-2-ylox...)
Show SMILES CCc1csc(n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)nc1
Show InChI InChI=1S/C24H26N2O4S/c1-2-19-15-31-24(26-19)18-6-9-22(25-14-18)30-11-3-10-29-20-7-8-21-16(12-20)4-5-17(21)13-23(27)28/h6-9,12,14-15,17H,2-5,10-11,13H2,1H3,(H,27,28)/t17-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta by FRET assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50200405
PNG
(2-((S)-5-(3-((2-(3-ethoxyphenyl)-5-methylpyrimidin...)
Show SMILES CCOc1cccc(c1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C28H33N3O4/c1-4-34-23-8-5-7-22(16-23)27-29-18-19(2)28(30-27)31(3)13-6-14-35-24-11-12-25-20(15-24)9-10-21(25)17-26(32)33/h5,7-8,11-12,15-16,18,21H,4,6,9-10,13-14,17H2,1-3H3,(H,32,33)/t21-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta by FRET assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50200412
PNG
(2-((S)-5-(3-(5-(4-ethoxythiazol-2-yl)pyridin-2-ylo...)
Show SMILES CCOc1csc(n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)nc1
Show InChI InChI=1S/C24H26N2O5S/c1-2-29-22-15-32-24(26-22)18-6-9-21(25-14-18)31-11-3-10-30-19-7-8-20-16(12-19)4-5-17(20)13-23(27)28/h6-9,12,14-15,17H,2-5,10-11,13H2,1H3,(H,27,28)/t17-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma in mouse 3T3-L1 cells by IRBA


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50200401
PNG
(2-((S)-5-(3-(methyl(5-methyl-2-m-tolylpyrimidin-4-...)
Show SMILES CN(CCCOc1ccc2[C@H](CC(O)=O)CCc2c1)c1nc(ncc1C)-c1cccc(C)c1
Show InChI InChI=1S/C27H31N3O3/c1-18-6-4-7-22(14-18)26-28-17-19(2)27(29-26)30(3)12-5-13-33-23-10-11-24-20(15-23)8-9-21(24)16-25(31)32/h4,6-7,10-11,14-15,17,21H,5,8-9,12-13,16H2,1-3H3,(H,31,32)/t21-/m0/s1
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n/an/an/an/a 4.39E+3n/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha by FRET assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50200404
PNG
((S)-2-(5-(3-((2-(4-ethylphenyl)-5-fluoropyrimidin-...)
Show SMILES CCc1ccc(cc1)-c1ncc(F)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C27H30FN3O3/c1-3-18-5-7-19(8-6-18)26-29-17-24(28)27(30-26)31(2)13-4-14-34-22-11-12-23-20(15-22)9-10-21(23)16-25(32)33/h5-8,11-12,15,17,21H,3-4,9-10,13-14,16H2,1-2H3,(H,32,33)/t21-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma in mouse 3T3-L1 cells by IRBA


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50200404
PNG
((S)-2-(5-(3-((2-(4-ethylphenyl)-5-fluoropyrimidin-...)
Show SMILES CCc1ccc(cc1)-c1ncc(F)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C27H30FN3O3/c1-3-18-5-7-19(8-6-18)26-29-17-24(28)27(30-26)31(2)13-4-14-34-22-11-12-23-20(15-22)9-10-21(23)16-25(32)33/h5-8,11-12,15,17,21H,3-4,9-10,13-14,16H2,1-2H3,(H,32,33)/t21-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta by FRET assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50200403
PNG
((S)-2-(5-(3-((2-(4-isopropylphenyl)-5-methylpyrimi...)
Show SMILES CC(C)c1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C29H35N3O3/c1-19(2)21-6-8-22(9-7-21)28-30-18-20(3)29(31-28)32(4)14-5-15-35-25-12-13-26-23(16-25)10-11-24(26)17-27(33)34/h6-9,12-13,16,18-19,24H,5,10-11,14-15,17H2,1-4H3,(H,33,34)/t24-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta by FRET assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50200411
PNG
((S)-2-(5-(3-((2-(4-ethylphenyl)-5-methylpyrimidin-...)
Show SMILES CCc1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C28H33N3O3/c1-4-20-6-8-21(9-7-20)27-29-18-19(2)28(30-27)31(3)14-5-15-34-24-12-13-25-22(16-24)10-11-23(25)17-26(32)33/h6-9,12-13,16,18,23H,4-5,10-11,14-15,17H2,1-3H3,(H,32,33)/t23-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha by FRET assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50200410
PNG
((S)-2-(5-(3-((2-(4-tert-butylphenyl)-5-methylpyrim...)
Show SMILES CN(CCCOc1ccc2[C@H](CC(O)=O)CCc2c1)c1nc(ncc1C)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C30H37N3O3/c1-20-19-31-28(21-9-11-24(12-10-21)30(2,3)4)32-29(20)33(5)15-6-16-36-25-13-14-26-22(17-25)7-8-23(26)18-27(34)35/h9-14,17,19,23H,6-8,15-16,18H2,1-5H3,(H,34,35)/t23-/m0/s1
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n/an/an/an/a 28n/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta by FRET assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50200402
PNG
(2-((S)-5-(3-(5-(5-acetyl-4-methylthiazol-2-yl)pyri...)
Show SMILES CC(=O)c1sc(nc1C)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)nc1
Show InChI InChI=1S/C25H26N2O5S/c1-15-24(16(2)28)33-25(27-15)19-6-9-22(26-14-19)32-11-3-10-31-20-7-8-21-17(12-20)4-5-18(21)13-23(29)30/h6-9,12,14,18H,3-5,10-11,13H2,1-2H3,(H,29,30)/t18-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma in mouse 3T3-L1 cells by IRBA


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50200417
PNG
(2-((S)-5-(3-(5-(4-ethylthiazol-2-yl)pyridin-2-ylox...)
Show SMILES CCc1csc(n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)nc1
Show InChI InChI=1S/C24H26N2O4S/c1-2-19-15-31-24(26-19)18-6-9-22(25-14-18)30-11-3-10-29-20-7-8-21-16(12-20)4-5-17(21)13-23(27)28/h6-9,12,14-15,17H,2-5,10-11,13H2,1H3,(H,27,28)/t17-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha by FRET assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50200407
PNG
((S)-2-(5-(3-(methyl(5-methyl-2-p-tolylpyrimidin-4-...)
Show SMILES CN(CCCOc1ccc2[C@H](CC(O)=O)CCc2c1)c1nc(ncc1C)-c1ccc(C)cc1
Show InChI InChI=1S/C27H31N3O3/c1-18-5-7-20(8-6-18)26-28-17-19(2)27(29-26)30(3)13-4-14-33-23-11-12-24-21(15-23)9-10-22(24)16-25(31)32/h5-8,11-12,15,17,22H,4,9-10,13-14,16H2,1-3H3,(H,31,32)/t22-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha by FRET assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50200400
PNG
(2-((S)-5-(3-(5-(4,5-dimethylthiazol-2-yl)pyridin-2...)
Show SMILES Cc1nc(sc1C)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)nc1
Show InChI InChI=1S/C24H26N2O4S/c1-15-16(2)31-24(26-15)19-6-9-22(25-14-19)30-11-3-10-29-20-7-8-21-17(12-20)4-5-18(21)13-23(27)28/h6-9,12,14,18H,3-5,10-11,13H2,1-2H3,(H,27,28)/t18-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma in mouse 3T3-L1 cells by IRBA


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50200414
PNG
((S)-2-(5-(3-((2-(4-methoxyphenyl)-5-methylpyrimidi...)
Show SMILES COc1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C27H31N3O4/c1-18-17-28-26(19-7-9-22(33-3)10-8-19)29-27(18)30(2)13-4-14-34-23-11-12-24-20(15-23)5-6-21(24)16-25(31)32/h7-12,15,17,21H,4-6,13-14,16H2,1-3H3,(H,31,32)/t21-/m0/s1
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n/an/an/an/a 1.39E+3n/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha by FRET assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50200412
PNG
(2-((S)-5-(3-(5-(4-ethoxythiazol-2-yl)pyridin-2-ylo...)
Show SMILES CCOc1csc(n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)nc1
Show InChI InChI=1S/C24H26N2O5S/c1-2-29-22-15-32-24(26-22)18-6-9-21(25-14-18)31-11-3-10-30-19-7-8-20-16(12-19)4-5-17(20)13-23(27)28/h6-9,12,14-15,17H,2-5,10-11,13H2,1H3,(H,27,28)/t17-/m0/s1
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n/an/an/an/a 807n/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha by FRET assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50200418
PNG
((S)-2-(5-(3-((2-(4-ethylphenyl)-6-methylpyrimidin-...)
Show SMILES CCc1ccc(cc1)-c1nc(C)cc(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C28H33N3O3/c1-4-20-6-8-21(9-7-20)28-29-19(2)16-26(30-28)31(3)14-5-15-34-24-12-13-25-22(17-24)10-11-23(25)18-27(32)33/h6-9,12-13,16-17,23H,4-5,10-11,14-15,18H2,1-3H3,(H,32,33)/t23-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta by FRET assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50200415
PNG
((S)-2-(5-(3-((2-(4-acetylphenyl)-5-methylpyrimidin...)
Show SMILES CN(CCCOc1ccc2[C@H](CC(O)=O)CCc2c1)c1nc(ncc1C)-c1ccc(cc1)C(C)=O
Show InChI InChI=1S/C28H31N3O4/c1-18-17-29-27(21-7-5-20(6-8-21)19(2)32)30-28(18)31(3)13-4-14-35-24-11-12-25-22(15-24)9-10-23(25)16-26(33)34/h5-8,11-12,15,17,23H,4,9-10,13-14,16H2,1-3H3,(H,33,34)/t23-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta by FRET assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
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