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Compile Data Set for Download or QSAR

Found 439 hits with Last Name = 'ehrgott' and Initial = 'fj'   
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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n/an/a 56n/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 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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n/an/a 175n/an/an/an/an/an/a



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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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 alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21753
PNG
(2-[(1S)-5-(3-phenoxypropoxy)-2,3-dihydro-1H-inden-...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccccc3)ccc12 |r|
Show InChI InChI=1S/C20H22O4/c21-20(22)14-16-8-7-15-13-18(9-10-19(15)16)24-12-4-11-23-17-5-2-1-3-6-17/h1-3,5-6,9-10,13,16H,4,7-8,11-12,14H2,(H,21,22)/t16-/m0/s1
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n/an/an/an/a>1.00E+4n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21754
PNG
(2-[(1S)-5-[3-(4-ethylphenoxy)propoxy]-2,3-dihydro-...)
Show SMILES CCc1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
Show InChI InChI=1S/C22H26O4/c1-2-16-4-8-19(9-5-16)25-12-3-13-26-20-10-11-21-17(14-20)6-7-18(21)15-22(23)24/h4-5,8-11,14,18H,2-3,6-7,12-13,15H2,1H3,(H,23,24)/t18-/m0/s1
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n/an/an/an/a 1.98E+3n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21755
PNG
(2-[(1S)-5-{3-[4-(trifluoromethyl)phenoxy]propoxy}-...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)C(F)(F)F)ccc12 |r|
Show InChI InChI=1S/C21H21F3O4/c22-21(23,24)16-4-6-17(7-5-16)27-10-1-11-28-18-8-9-19-14(12-18)2-3-15(19)13-20(25)26/h4-9,12,15H,1-3,10-11,13H2,(H,25,26)/t15-/m0/s1
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n/an/an/an/a 1.61E+3n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21756
PNG
(2-[(1S)-5-{3-[4-(trifluoromethoxy)phenoxy]propoxy}...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(OC(F)(F)F)cc3)ccc12 |r|
Show InChI InChI=1S/C21H21F3O5/c22-21(23,24)29-17-6-4-16(5-7-17)27-10-1-11-28-18-8-9-19-14(12-18)2-3-15(19)13-20(25)26/h4-9,12,15H,1-3,10-11,13H2,(H,25,26)/t15-/m0/s1
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n/an/an/an/a 6.80E+3n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21757
PNG
(2-[(1S)-5-[3-(4-methoxyphenoxy)propoxy]-2,3-dihydr...)
Show SMILES COc1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
Show InChI InChI=1S/C21H24O5/c1-24-17-5-7-18(8-6-17)25-11-2-12-26-19-9-10-20-15(13-19)3-4-16(20)14-21(22)23/h5-10,13,16H,2-4,11-12,14H2,1H3,(H,22,23)/t16-/m0/s1
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n/an/an/an/a>1.00E+4n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21758
PNG
(2-[(1S)-5-[3-(4-ethoxyphenoxy)propoxy]-2,3-dihydro...)
Show SMILES CCOc1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
Show InChI InChI=1S/C22H26O5/c1-2-25-18-6-8-19(9-7-18)26-12-3-13-27-20-10-11-21-16(14-20)4-5-17(21)15-22(23)24/h6-11,14,17H,2-5,12-13,15H2,1H3,(H,23,24)/t17-/m0/s1
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n/an/an/an/a>1.00E+4n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21759
PNG
(2-[(1S)-5-[3-(4-cyanophenoxy)propoxy]-2,3-dihydro-...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)C#N)ccc12 |r|
Show InChI InChI=1S/C21H21NO4/c22-14-15-2-6-18(7-3-15)25-10-1-11-26-19-8-9-20-16(12-19)4-5-17(20)13-21(23)24/h2-3,6-9,12,17H,1,4-5,10-11,13H2,(H,23,24)/t17-/m0/s1
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n/an/an/an/a 5.70E+3n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21760
PNG
(2-[(1S)-5-[3-(4-phenylphenoxy)propoxy]-2,3-dihydro...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3ccccc3)ccc12 |r|
Show InChI InChI=1S/C26H26O4/c27-26(28)18-22-8-7-21-17-24(13-14-25(21)22)30-16-4-15-29-23-11-9-20(10-12-23)19-5-2-1-3-6-19/h1-3,5-6,9-14,17,22H,4,7-8,15-16,18H2,(H,27,28)/t22-/m0/s1
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n/an/an/an/a>1.00E+4n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21761
PNG
(2-[(1S)-5-[3-(3-methylphenoxy)propoxy]-2,3-dihydro...)
Show SMILES Cc1cccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c1 |r|
Show InChI InChI=1S/C21H24O4/c1-15-4-2-5-18(12-15)24-10-3-11-25-19-8-9-20-16(13-19)6-7-17(20)14-21(22)23/h2,4-5,8-9,12-13,17H,3,6-7,10-11,14H2,1H3,(H,22,23)/t17-/m0/s1
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n/an/an/an/a>1.00E+4n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21762
PNG
(2-[(1S)-5-[3-(3,4-dimethylphenoxy)propoxy]-2,3-dih...)
Show SMILES Cc1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1C |r|
Show InChI InChI=1S/C22H26O4/c1-15-4-7-19(12-16(15)2)25-10-3-11-26-20-8-9-21-17(13-20)5-6-18(21)14-22(23)24/h4,7-9,12-13,18H,3,5-6,10-11,14H2,1-2H3,(H,23,24)/t18-/m0/s1
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n/an/an/an/a>1.00E+4n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21763
PNG
(2-[(1S)-5-{3-[4-(pyrimidin-5-yl)phenoxy]propoxy}-2...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3cncnc3)ccc12 |r|
Show InChI InChI=1S/C24H24N2O4/c27-24(28)13-19-3-2-18-12-22(8-9-23(18)19)30-11-1-10-29-21-6-4-17(5-7-21)20-14-25-16-26-15-20/h4-9,12,14-16,19H,1-3,10-11,13H2,(H,27,28)/t19-/m0/s1
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n/an/an/an/a 7.28E+3n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21764
PNG
(2-[(1S)-5-[3-(3-methoxyphenoxy)propoxy]-2,3-dihydr...)
Show SMILES COc1cccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c1 |r|
Show InChI InChI=1S/C21H24O5/c1-24-17-4-2-5-18(14-17)25-10-3-11-26-19-8-9-20-15(12-19)6-7-16(20)13-21(22)23/h2,4-5,8-9,12,14,16H,3,6-7,10-11,13H2,1H3,(H,22,23)/t16-/m0/s1
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n/an/an/an/a>1.00E+4n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21765
PNG
(2-[(1S)-5-[3-(2,4-dimethylphenoxy)propoxy]-2,3-dih...)
Show SMILES Cc1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c(C)c1 |r|
Show InChI InChI=1S/C22H26O4/c1-15-4-9-21(16(2)12-15)26-11-3-10-25-19-7-8-20-17(13-19)5-6-18(20)14-22(23)24/h4,7-9,12-13,18H,3,5-6,10-11,14H2,1-2H3,(H,23,24)/t18-/m0/s1
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n/an/an/an/a 9.36E+3n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21766
PNG
(2-[(1S)-5-[3-(2-propylphenoxy)propoxy]-2,3-dihydro...)
Show SMILES CCCc1ccccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1 |r|
Show InChI InChI=1S/C23H28O4/c1-2-6-17-7-3-4-8-22(17)27-14-5-13-26-20-11-12-21-18(15-20)9-10-19(21)16-23(24)25/h3-4,7-8,11-12,15,19H,2,5-6,9-10,13-14,16H2,1H3,(H,24,25)/t19-/m0/s1
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n/an/an/an/a>1.00E+4n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21767
PNG
(2-[(1S)-5-{3-[2-propyl-4-(trifluoromethyl)phenoxy]...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)C(F)(F)F |r|
Show InChI InChI=1S/C24H27F3O4/c1-2-4-18-13-19(24(25,26)27)7-10-22(18)31-12-3-11-30-20-8-9-21-16(14-20)5-6-17(21)15-23(28)29/h7-10,13-14,17H,2-6,11-12,15H2,1H3,(H,28,29)/t17-/m0/s1
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n/an/an/an/a 1.14E+3n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21768
PNG
(2-[(1S)-5-[3-(4-cyano-2-propylphenoxy)propoxy]-2,3...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)C#N |r|
Show InChI InChI=1S/C24H27NO4/c1-2-4-20-13-17(16-25)5-10-23(20)29-12-3-11-28-21-8-9-22-18(14-21)6-7-19(22)15-24(26)27/h5,8-10,13-14,19H,2-4,6-7,11-12,15H2,1H3,(H,26,27)/t19-/m0/s1
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n/an/an/an/a 3.95E+3n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21769
PNG
(2-[(1S)-5-[3-(4-phenoxy-2-propylphenoxy)propoxy]-2...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1 |r|
Show InChI InChI=1S/C29H32O5/c1-2-7-23-19-26(34-24-8-4-3-5-9-24)13-15-28(23)33-17-6-16-32-25-12-14-27-21(18-25)10-11-22(27)20-29(30)31/h3-5,8-9,12-15,18-19,22H,2,6-7,10-11,16-17,20H2,1H3,(H,30,31)/t22-/m0/s1
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n/an/an/an/a>1.00E+4n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21770
PNG
(2-[(1S)-5-[3-(2-methoxy-4-methylphenoxy)propoxy]-2...)
Show SMILES COc1cc(C)ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1 |r|
Show InChI InChI=1S/C22H26O5/c1-15-4-9-20(21(12-15)25-2)27-11-3-10-26-18-7-8-19-16(13-18)5-6-17(19)14-22(23)24/h4,7-9,12-13,17H,3,5-6,10-11,14H2,1-2H3,(H,23,24)/t17-/m0/s1
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n/an/an/an/a>1.00E+4n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21771
PNG
(2-[(1S)-5-[3-(4-ethyl-2-methoxyphenoxy)propoxy]-2,...)
Show SMILES CCc1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c(OC)c1 |r|
Show InChI InChI=1S/C23H28O5/c1-3-16-5-10-21(22(13-16)26-2)28-12-4-11-27-19-8-9-20-17(14-19)6-7-18(20)15-23(24)25/h5,8-10,13-14,18H,3-4,6-7,11-12,15H2,1-2H3,(H,24,25)/t18-/m0/s1
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n/an/an/an/a 700n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21772
PNG
(2-[(1S)-5-[3-(4-cyano-2-methoxyphenoxy)propoxy]-2,...)
Show SMILES COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)C#N |r|
Show InChI InChI=1S/C22H23NO5/c1-26-21-11-15(14-23)3-8-20(21)28-10-2-9-27-18-6-7-19-16(12-18)4-5-17(19)13-22(24)25/h3,6-8,11-12,17H,2,4-5,9-10,13H2,1H3,(H,24,25)/t17-/m0/s1
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n/an/an/an/a 7.50E+3n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21773
PNG
(2-[(1S)-5-[3-(2-ethoxy-4-methylphenoxy)propoxy]-2,...)
Show SMILES CCOc1cc(C)ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1 |r|
Show InChI InChI=1S/C23H28O5/c1-3-26-22-13-16(2)5-10-21(22)28-12-4-11-27-19-8-9-20-17(14-19)6-7-18(20)15-23(24)25/h5,8-10,13-14,18H,3-4,6-7,11-12,15H2,1-2H3,(H,24,25)/t18-/m0/s1
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n/an/an/an/a>1.00E+4n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21774
PNG
(2-[(1S)-5-{3-[4-(1H-1,2,4-triazol-1-yl)phenoxy]pro...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-n3cncn3)ccc12 |r|
Show InChI InChI=1S/C22H23N3O4/c26-22(27)13-17-3-2-16-12-20(8-9-21(16)17)29-11-1-10-28-19-6-4-18(5-7-19)25-15-23-14-24-25/h4-9,12,14-15,17H,1-3,10-11,13H2,(H,26,27)/t17-/m0/s1
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n/an/an/an/a>1.00E+4n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21775
PNG
(2-[(1S)-5-{3-[2-acetamido-4-(1H-1,2,3-triazol-1-yl...)
Show SMILES CC(=O)Nc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-n1ccnn1 |r|
Show InChI InChI=1S/C24H26N4O5/c1-16(29)26-22-15-19(28-10-9-25-27-28)5-8-23(22)33-12-2-11-32-20-6-7-21-17(13-20)3-4-18(21)14-24(30)31/h5-10,13,15,18H,2-4,11-12,14H2,1H3,(H,26,29)(H,30,31)/t18-/m0/s1
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n/an/an/an/a 9.20E+3n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21776
PNG
(2-[(1S)-5-{3-[2-chloro-4-(4H-1,2,4-triazol-4-yl)ph...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3Cl)-n3cnnc3)ccc12 |r|
Show InChI InChI=1S/C22H22ClN3O4/c23-20-12-17(26-13-24-25-14-26)4-7-21(20)30-9-1-8-29-18-5-6-19-15(10-18)2-3-16(19)11-22(27)28/h4-7,10,12-14,16H,1-3,8-9,11H2,(H,27,28)/t16-/m0/s1
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n/an/an/an/a 6.85E+3n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21777
PNG
(2-[(1S)-5-(3-{2-methyl-4-[3-(trifluoromethyl)-1,2,...)
Show SMILES Cc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(ns1)C(F)(F)F |r|
Show InChI InChI=1S/C24H23F3N2O4S/c1-14-11-17(22-28-23(29-34-22)24(25,26)27)5-8-20(14)33-10-2-9-32-18-6-7-19-15(12-18)3-4-16(19)13-21(30)31/h5-8,11-12,16H,2-4,9-10,13H2,1H3,(H,30,31)/t16-/m0/s1
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n/an/an/an/a 520n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21778
PNG
(2-[(1S)-5-{3-[4-(thiophen-3-yl)phenoxy]propoxy}-2,...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3ccsc3)ccc12 |r|
Show InChI InChI=1S/C24H24O4S/c25-24(26)15-19-3-2-18-14-22(8-9-23(18)19)28-12-1-11-27-21-6-4-17(5-7-21)20-10-13-29-16-20/h4-10,13-14,16,19H,1-3,11-12,15H2,(H,25,26)/t19-/m0/s1
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n/an/an/an/a>1.00E+4n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21779
PNG
(2-[(1S)-5-{3-[4-(furan-3-yl)phenoxy]propoxy}-2,3-d...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3ccoc3)ccc12 |r|
Show InChI InChI=1S/C24H24O5/c25-24(26)15-19-3-2-18-14-22(8-9-23(18)19)29-12-1-11-28-21-6-4-17(5-7-21)20-10-13-27-16-20/h4-10,13-14,16,19H,1-3,11-12,15H2,(H,25,26)/t19-/m0/s1
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n/an/an/an/a 3.27E+3n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21780
PNG
(2-[(1S)-5-{3-[4-(1H-indol-6-yl)phenoxy]propoxy}-2,...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3ccc4cc[nH]c4c3)ccc12 |r|
Show InChI InChI=1S/C28H27NO4/c30-28(31)18-23-5-4-22-16-25(10-11-26(22)23)33-15-1-14-32-24-8-6-19(7-9-24)21-3-2-20-12-13-29-27(20)17-21/h2-3,6-13,16-17,23,29H,1,4-5,14-15,18H2,(H,30,31)/t23-/m0/s1
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n/an/an/an/a 6.60E+3n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21781
PNG
(2-[(1S)-5-{3-[4-(pyridin-3-yl)phenoxy]propoxy}-2,3...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3cccnc3)ccc12 |r|
Show InChI InChI=1S/C25H25NO4/c27-25(28)16-20-5-4-19-15-23(10-11-24(19)20)30-14-2-13-29-22-8-6-18(7-9-22)21-3-1-12-26-17-21/h1,3,6-12,15,17,20H,2,4-5,13-14,16H2,(H,27,28)/t20-/m0/s1
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n/an/an/an/a 1.69E+3n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21782
PNG
(2-[(1S)-5-{3-[4-(4-methoxypyridin-3-yl)phenoxy]pro...)
Show SMILES COc1ccncc1-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
Show InChI InChI=1S/C26H27NO5/c1-30-25-11-12-27-17-24(25)18-5-7-21(8-6-18)31-13-2-14-32-22-9-10-23-19(15-22)3-4-20(23)16-26(28)29/h5-12,15,17,20H,2-4,13-14,16H2,1H3,(H,28,29)/t20-/m0/s1
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n/an/an/an/a>1.00E+4n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21783
PNG
(2-[(1S)-5-{3-[4-(2,4-dimethoxypyrimidin-5-yl)pheno...)
Show SMILES COc1ncc(c(OC)n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
Show InChI InChI=1S/C26H28N2O6/c1-31-25-23(16-27-26(28-25)32-2)17-6-8-20(9-7-17)33-12-3-13-34-21-10-11-22-18(14-21)4-5-19(22)15-24(29)30/h6-11,14,16,19H,3-5,12-13,15H2,1-2H3,(H,29,30)/t19-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21784
PNG
(2-[(1S)-5-{3-[4-(6-methylpyridin-2-yl)phenoxy]prop...)
Show SMILES Cc1cccc(n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
Show InChI InChI=1S/C26H27NO4/c1-18-4-2-5-25(27-18)19-8-10-22(11-9-19)30-14-3-15-31-23-12-13-24-20(16-23)6-7-21(24)17-26(28)29/h2,4-5,8-13,16,21H,3,6-7,14-15,17H2,1H3,(H,28,29)/t21-/m0/s1
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n/an/an/an/a 5.26E+3n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21785
PNG
(2-[(1S)-5-(3-{4-[5-(trifluoromethyl)pyridin-2-yl]p...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3ccc(cn3)C(F)(F)F)ccc12 |r|
Show InChI InChI=1S/C26H24F3NO4/c27-26(28,29)20-6-11-24(30-16-20)17-4-7-21(8-5-17)33-12-1-13-34-22-9-10-23-18(14-22)2-3-19(23)15-25(31)32/h4-11,14,16,19H,1-3,12-13,15H2,(H,31,32)/t19-/m0/s1
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n/an/an/an/a 2.90E+3n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21786
PNG
(2-[(1S)-5-{3-[2-propyl-4-(1,3-thiazol-2-yl)phenoxy...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nccs1 |r|
Show InChI InChI=1S/C26H29NO4S/c1-2-4-20-15-21(26-27-11-14-32-26)7-10-24(20)31-13-3-12-30-22-8-9-23-18(16-22)5-6-19(23)17-25(28)29/h7-11,14-16,19H,2-6,12-13,17H2,1H3,(H,28,29)/t19-/m0/s1
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n/an/an/an/a 111n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21787
PNG
(2-[(1S)-5-{3-[2-methoxy-4-(1,3-thiazol-2-yl)phenox...)
Show SMILES COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nccs1 |r|
Show InChI InChI=1S/C24H25NO5S/c1-28-22-14-18(24-25-9-12-31-24)5-8-21(22)30-11-2-10-29-19-6-7-20-16(13-19)3-4-17(20)15-23(26)27/h5-9,12-14,17H,2-4,10-11,15H2,1H3,(H,26,27)/t17-/m0/s1
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n/an/an/an/a 255n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21788
PNG
(2-[(1S)-5-{3-[2-methoxy-4-(4-methyl-1,3-thiazol-2-...)
Show SMILES COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(C)cs1 |r|
Show InChI InChI=1S/C25H27NO5S/c1-16-15-32-25(26-16)19-6-9-22(23(13-19)29-2)31-11-3-10-30-20-7-8-21-17(12-20)4-5-18(21)14-24(27)28/h6-9,12-13,15,18H,3-5,10-11,14H2,1-2H3,(H,27,28)/t18-/m0/s1
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n/an/an/an/a 268n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21789
PNG
(2-[(1S)-5-{3-[4-(4-ethyl-1,3-thiazol-2-yl)phenoxy]...)
Show SMILES CCc1csc(n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
Show InChI InChI=1S/C25H27NO4S/c1-2-20-16-31-25(26-20)17-6-8-21(9-7-17)29-12-3-13-30-22-10-11-23-18(14-22)4-5-19(23)15-24(27)28/h6-11,14,16,19H,2-5,12-13,15H2,1H3,(H,27,28)/t19-/m0/s1
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n/an/an/an/a 1.28E+3n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21790
PNG
(2-[(1S)-5-{3-[4-(4-ethyl-1,3-thiazol-2-yl)-2-propy...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(CC)cs1 |r|
Show InChI InChI=1S/C28H33NO4S/c1-3-6-21-15-22(28-29-23(4-2)18-34-28)9-12-26(21)33-14-5-13-32-24-10-11-25-19(16-24)7-8-20(25)17-27(30)31/h9-12,15-16,18,20H,3-8,13-14,17H2,1-2H3,(H,30,31)/t20-/m0/s1
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n/an/an/an/a 147n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM21791
PNG
(2-[(1S)-5-{3-[4-(4-ethyl-1,3-thiazol-2-yl)-2-metho...)
Show SMILES CCc1csc(n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c(OC)c1 |r|
Show InChI InChI=1S/C26H29NO5S/c1-3-20-16-33-26(27-20)19-7-10-23(24(14-19)30-2)32-12-4-11-31-21-8-9-22-17(13-21)5-6-18(22)15-25(28)29/h7-10,13-14,16,18H,3-6,11-12,15H2,1-2H3,(H,28,29)/t18-/m0/s1
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n/an/an/an/a 254n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
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