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Compile Data Set for Download or QSAR

Found 26 hits from Bayer-Schering Pharma   
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))
BDBM50319262
PNG
(2-(4-(((2-(2,4-dimethylphenylamino)-2-oxoethyl)(fu...)
Show SMILES Cc1ccc(NC(=O)CN(Cc2ccco2)Cc2ccc(OC(C)(C)C(O)=O)cc2)c(C)c1
Show InChI InChI=1S/C26H30N2O5/c1-18-7-12-23(19(2)14-18)27-24(29)17-28(16-22-6-5-13-32-22)15-20-8-10-21(11-9-20)33-26(3,4)25(30)31/h5-14H,15-17H2,1-4H3,(H,27,29)(H,30,31)
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n/an/an/an/a 6.00E+3n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused human PPARdelta


Bioorg Med Chem Lett 20: 3376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 2.00E+3n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused human PPARdelta


Bioorg Med Chem Lett 20: 3376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50319262
PNG
(2-(4-(((2-(2,4-dimethylphenylamino)-2-oxoethyl)(fu...)
Show SMILES Cc1ccc(NC(=O)CN(Cc2ccco2)Cc2ccc(OC(C)(C)C(O)=O)cc2)c(C)c1
Show InChI InChI=1S/C26H30N2O5/c1-18-7-12-23(19(2)14-18)27-24(29)17-28(16-22-6-5-13-32-22)15-20-8-10-21(11-9-20)33-26(3,4)25(30)31/h5-14H,15-17H2,1-4H3,(H,27,29)(H,30,31)
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n/an/an/an/a 20n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused mouse PPARalpha


Bioorg Med Chem Lett 20: 3376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 2.50E+3n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused mouse PPARgamma


Bioorg Med Chem Lett 20: 3376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50319262
PNG
(2-(4-(((2-(2,4-dimethylphenylamino)-2-oxoethyl)(fu...)
Show SMILES Cc1ccc(NC(=O)CN(Cc2ccco2)Cc2ccc(OC(C)(C)C(O)=O)cc2)c(C)c1
Show InChI InChI=1S/C26H30N2O5/c1-18-7-12-23(19(2)14-18)27-24(29)17-28(16-22-6-5-13-32-22)15-20-8-10-21(11-9-20)33-26(3,4)25(30)31/h5-14H,15-17H2,1-4H3,(H,27,29)(H,30,31)
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n/an/an/an/a 300n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused mouse PPARgamma


Bioorg Med Chem Lett 20: 3376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 2.00E+3n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused mouse PPARdelta


Bioorg Med Chem Lett 20: 3376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50319262
PNG
(2-(4-(((2-(2,4-dimethylphenylamino)-2-oxoethyl)(fu...)
Show SMILES Cc1ccc(NC(=O)CN(Cc2ccco2)Cc2ccc(OC(C)(C)C(O)=O)cc2)c(C)c1
Show InChI InChI=1S/C26H30N2O5/c1-18-7-12-23(19(2)14-18)27-24(29)17-28(16-22-6-5-13-32-22)15-20-8-10-21(11-9-20)33-26(3,4)25(30)31/h5-14H,15-17H2,1-4H3,(H,27,29)(H,30,31)
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n/an/an/an/a 2.00E+3n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused mouse PPARdelta


Bioorg Med Chem Lett 20: 3376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50319262
PNG
(2-(4-(((2-(2,4-dimethylphenylamino)-2-oxoethyl)(fu...)
Show SMILES Cc1ccc(NC(=O)CN(Cc2ccco2)Cc2ccc(OC(C)(C)C(O)=O)cc2)c(C)c1
Show InChI InChI=1S/C26H30N2O5/c1-18-7-12-23(19(2)14-18)27-24(29)17-28(16-22-6-5-13-32-22)15-20-8-10-21(11-9-20)33-26(3,4)25(30)31/h5-14H,15-17H2,1-4H3,(H,27,29)(H,30,31)
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n/an/an/an/a 20n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused human PPARalpha


Bioorg Med Chem Lett 20: 3376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50319263
PNG
(2-(4-((benzyl(2-(2,4-dimethylphenylamino)-2-oxoeth...)
Show SMILES Cc1ccc(NC(=O)CN(Cc2ccccc2)Cc2ccc(OC(C)(C)C(O)=O)cc2)c(C)c1
Show InChI InChI=1S/C28H32N2O4/c1-20-10-15-25(21(2)16-20)29-26(31)19-30(17-22-8-6-5-7-9-22)18-23-11-13-24(14-12-23)34-28(3,4)27(32)33/h5-16H,17-19H2,1-4H3,(H,29,31)(H,32,33)
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n/an/an/an/a 1.00E+3n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused human PPARalpha


Bioorg Med Chem Lett 20: 3376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50319264
PNG
(2-(4-(((2-(2,4-dimethylphenylamino)-2-oxoethyl)(th...)
Show SMILES Cc1ccc(NC(=O)CN(Cc2cccs2)Cc2ccc(OC(C)(C)C(O)=O)cc2)c(C)c1
Show InChI InChI=1S/C26H30N2O4S/c1-18-7-12-23(19(2)14-18)27-24(29)17-28(16-22-6-5-13-33-22)15-20-8-10-21(11-9-20)32-26(3,4)25(30)31/h5-14H,15-17H2,1-4H3,(H,27,29)(H,30,31)
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Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused human PPARalpha


Bioorg Med Chem Lett 20: 3376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50319265
PNG
(2-(4-(((2-(2,4-dimethylphenylamino)-2-oxoethyl)(4-...)
Show SMILES COc1ccc(CN(CC(=O)Nc2ccc(C)cc2C)Cc2ccc(OC(C)(C)C(O)=O)cc2)cc1
Show InChI InChI=1S/C29H34N2O5/c1-20-6-15-26(21(2)16-20)30-27(32)19-31(17-22-7-11-24(35-5)12-8-22)18-23-9-13-25(14-10-23)36-29(3,4)28(33)34/h6-16H,17-19H2,1-5H3,(H,30,32)(H,33,34)
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n/an/an/an/a 900n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused human PPARalpha


Bioorg Med Chem Lett 20: 3376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50319266
PNG
(2-(4-(((2-(2,4-dimethylphenylamino)-2-oxoethyl)(pr...)
Show SMILES CCCN(CC(=O)Nc1ccc(C)cc1C)Cc1ccc(OC(C)(C)C(O)=O)cc1
Show InChI InChI=1S/C24H32N2O4/c1-6-13-26(16-22(27)25-21-12-7-17(2)14-18(21)3)15-19-8-10-20(11-9-19)30-24(4,5)23(28)29/h7-12,14H,6,13,15-16H2,1-5H3,(H,25,27)(H,28,29)
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n/an/an/an/a 1.00E+3n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused human PPARalpha


Bioorg Med Chem Lett 20: 3376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50319267
PNG
(2-(4-((butyl(2-(2,4-dimethylphenylamino)-2-oxoethy...)
Show SMILES CCCCN(CC(=O)Nc1ccc(C)cc1C)Cc1ccc(OC(C)(C)C(O)=O)cc1
Show InChI InChI=1S/C25H34N2O4/c1-6-7-14-27(17-23(28)26-22-13-8-18(2)15-19(22)3)16-20-9-11-21(12-10-20)31-25(4,5)24(29)30/h8-13,15H,6-7,14,16-17H2,1-5H3,(H,26,28)(H,29,30)
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n/an/an/an/a 1.00E+4n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused human PPARalpha


Bioorg Med Chem Lett 20: 3376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50319268
PNG
(2-(4-(((2-(2,4-dimethylphenylamino)-2-oxoethyl)(he...)
Show SMILES CCCCCCCN(CC(=O)Nc1ccc(C)cc1C)Cc1ccc(OC(C)(C)C(O)=O)cc1
Show InChI InChI=1S/C28H40N2O4/c1-6-7-8-9-10-17-30(20-26(31)29-25-16-11-21(2)18-22(25)3)19-23-12-14-24(15-13-23)34-28(4,5)27(32)33/h11-16,18H,6-10,17,19-20H2,1-5H3,(H,29,31)(H,32,33)
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n/an/an/an/a>2.50E+4n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused human PPARalpha


Bioorg Med Chem Lett 20: 3376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50319269
PNG
(2-(4-(((furan-2-ylmethyl)(2-oxo-2-(o-tolylamino)et...)
Show SMILES Cc1ccccc1NC(=O)CN(Cc1ccco1)Cc1ccc(OC(C)(C)C(O)=O)cc1
Show InChI InChI=1S/C25H28N2O5/c1-18-7-4-5-9-22(18)26-23(28)17-27(16-21-8-6-14-31-21)15-19-10-12-20(13-11-19)32-25(2,3)24(29)30/h4-14H,15-17H2,1-3H3,(H,26,28)(H,29,30)
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n/an/an/an/a 2.00E+3n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused human PPARalpha


Bioorg Med Chem Lett 20: 3376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50319270
PNG
(2-(4-(((2-(2,5-dimethylphenylamino)-2-oxoethyl)(fu...)
Show SMILES Cc1ccc(C)c(NC(=O)CN(Cc2ccco2)Cc2ccc(OC(C)(C)C(O)=O)cc2)c1
Show InChI InChI=1S/C26H30N2O5/c1-18-7-8-19(2)23(14-18)27-24(29)17-28(16-22-6-5-13-32-22)15-20-9-11-21(12-10-20)33-26(3,4)25(30)31/h5-14H,15-17H2,1-4H3,(H,27,29)(H,30,31)
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n/an/an/an/a 600n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused human PPARalpha


Bioorg Med Chem Lett 20: 3376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50319271
PNG
(2-(4-(((2-(2,5-dimethoxyphenylamino)-2-oxoethyl)(f...)
Show SMILES COc1ccc(OC)c(NC(=O)CN(Cc2ccco2)Cc2ccc(OC(C)(C)C(O)=O)cc2)c1
Show InChI InChI=1S/C26H30N2O7/c1-26(2,25(30)31)35-19-9-7-18(8-10-19)15-28(16-21-6-5-13-34-21)17-24(29)27-22-14-20(32-3)11-12-23(22)33-4/h5-14H,15-17H2,1-4H3,(H,27,29)(H,30,31)
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n/an/an/an/a 300n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused human PPARalpha


Bioorg Med Chem Lett 20: 3376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50319272
PNG
(2-(4-(((furan-2-ylmethyl)(2-(3-methoxyphenylamino)...)
Show SMILES COc1cccc(NC(=O)CN(Cc2ccco2)Cc2ccc(OC(C)(C)C(O)=O)cc2)c1
Show InChI InChI=1S/C25H28N2O6/c1-25(2,24(29)30)33-20-11-9-18(10-12-20)15-27(16-22-8-5-13-32-22)17-23(28)26-19-6-4-7-21(14-19)31-3/h4-14H,15-17H2,1-3H3,(H,26,28)(H,29,30)
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n/an/an/an/a 3.00E+3n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused human PPARalpha


Bioorg Med Chem Lett 20: 3376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50319273
PNG
(2-(4-(((2-(2,4-difluorophenylamino)-2-oxoethyl)(fu...)
Show SMILES CC(C)(Oc1ccc(CN(CC(=O)Nc2ccc(F)cc2F)Cc2ccco2)cc1)C(O)=O
Show InChI InChI=1S/C24H24F2N2O5/c1-24(2,23(30)31)33-18-8-5-16(6-9-18)13-28(14-19-4-3-11-32-19)15-22(29)27-21-10-7-17(25)12-20(21)26/h3-12H,13-15H2,1-2H3,(H,27,29)(H,30,31)
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n/an/an/an/a 1.50E+3n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused human PPARalpha


Bioorg Med Chem Lett 20: 3376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50319274
PNG
(2-(4-(((furan-2-ylmethyl)(2-oxo-2-(pyridin-2-ylami...)
Show SMILES CC(C)(Oc1ccc(CN(CC(=O)Nc2ccccn2)Cc2ccco2)cc1)C(O)=O
Show InChI InChI=1S/C23H25N3O5/c1-23(2,22(28)29)31-18-10-8-17(9-11-18)14-26(15-19-6-5-13-30-19)16-21(27)25-20-7-3-4-12-24-20/h3-13H,14-16H2,1-2H3,(H,28,29)(H,24,25,27)
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n/an/an/an/a>2.50E+4n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused human PPARalpha


Bioorg Med Chem Lett 20: 3376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50319275
PNG
(2-(4-(((2-(benzylamino)-2-oxoethyl)(furan-2-ylmeth...)
Show SMILES CC(C)(Oc1ccc(CN(CC(=O)NCc2ccccc2)Cc2ccco2)cc1)C(O)=O
Show InChI InChI=1S/C25H28N2O5/c1-25(2,24(29)30)32-21-12-10-20(11-13-21)16-27(17-22-9-6-14-31-22)18-23(28)26-15-19-7-4-3-5-8-19/h3-14H,15-18H2,1-2H3,(H,26,28)(H,29,30)
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n/an/an/an/a 1.30E+4n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused human PPARalpha


Bioorg Med Chem Lett 20: 3376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50319276
PNG
(2-(4-(((2-(2-chlorobenzylamino)-2-oxoethyl)(furan-...)
Show SMILES CC(C)(Oc1ccc(CN(CC(=O)NCc2ccccc2Cl)Cc2ccco2)cc1)C(O)=O
Show InChI InChI=1S/C25H27ClN2O5/c1-25(2,24(30)31)33-20-11-9-18(10-12-20)15-28(16-21-7-5-13-32-21)17-23(29)27-14-19-6-3-4-8-22(19)26/h3-13H,14-17H2,1-2H3,(H,27,29)(H,30,31)
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n/an/an/an/a 7.00E+3n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused human PPARalpha


Bioorg Med Chem Lett 20: 3376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 100n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused human PPARalpha


Bioorg Med Chem Lett 20: 3376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 1.00E+3n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused human PPARgamma


Bioorg Med Chem Lett 20: 3376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50319262
PNG
(2-(4-(((2-(2,4-dimethylphenylamino)-2-oxoethyl)(fu...)
Show SMILES Cc1ccc(NC(=O)CN(Cc2ccco2)Cc2ccc(OC(C)(C)C(O)=O)cc2)c(C)c1
Show InChI InChI=1S/C26H30N2O5/c1-18-7-12-23(19(2)14-18)27-24(29)17-28(16-22-6-5-13-32-22)15-20-8-10-21(11-9-20)33-26(3,4)25(30)31/h5-14H,15-17H2,1-4H3,(H,27,29)(H,30,31)
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n/an/an/an/a 800n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused human PPARgamma


Bioorg Med Chem Lett 20: 3376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 10n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused mouse PPARalpha


Bioorg Med Chem Lett 20: 3376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair