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Compile Data Set for Download or QSAR

Found 30 hits from Dainippon Sumitomo Pharma Co, Ltd   
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 alpha


(Mus musculus)
BDBM50334216
PNG
(2-(3-(3-(2-(4-methylbenzoyl)-1H-pyrrol-1-yl)prop-1...)
Show SMILES Cc1ccc(cc1)C(=O)c1cccn1C\C=C\c1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C23H21NO4/c1-17-9-11-19(12-10-17)23(27)21-8-4-14-24(21)13-3-6-18-5-2-7-20(15-18)28-16-22(25)26/h2-12,14-15H,13,16H2,1H3,(H,25,26)/b6-3+
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n/an/an/an/a 4.90E+3n/an/an/an/a



Dainippon Sumitomo Pharma Co, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARalpha ligand binding domain expressed in COS-1 cells cotransfected with Gal4 by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 220-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.032
BindingDB Entry DOI: 10.7270/Q2668DGT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50341149
PNG
((E)-2-methyl-2-(3-(2-(2-(4-methylbenzoyl)-1H-benzo...)
Show SMILES Cc1ccc(cc1)C(=O)c1nc2ccccc2n1\C=C\c1cccc(OC(C)(C)C(O)=O)c1
Show InChI InChI=1S/C27H24N2O4/c1-18-11-13-20(14-12-18)24(30)25-28-22-9-4-5-10-23(22)29(25)16-15-19-7-6-8-21(17-19)33-27(2,3)26(31)32/h4-17H,1-3H3,(H,31,32)/b16-15+
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n/an/an/an/a 2.40E+3n/an/an/an/a



Dainippon Sumitomo Pharma Co, Ltd

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARalpha expressed in CHO cells cotransfected with Gal4-responsive luciferase reporter plasmid after 24 hrs by tra...


Bioorg Med Chem Lett 21: 1978-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.032
BindingDB Entry DOI: 10.7270/Q2PC32N3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50334218
PNG
(2-(3-(3-(2-(4-methoxybenzoyl)-1H-pyrrol-1-yl)prop-...)
Show SMILES COc1ccc(cc1)C(=O)c1cccn1C\C=C\c1cccc(CC(O)=O)c1
Show InChI InChI=1S/C23H21NO4/c1-28-20-11-9-19(10-12-20)23(27)21-8-4-14-24(21)13-3-7-17-5-2-6-18(15-17)16-22(25)26/h2-12,14-15H,13,16H2,1H3,(H,25,26)/b7-3+
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n/an/an/an/a 2.00E+3n/an/an/an/a



Dainippon Sumitomo Pharma Co, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in COS-1 cells cotransfected with Gal4 by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 220-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.032
BindingDB Entry DOI: 10.7270/Q2668DGT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50334219
PNG
(2-(3-(3-(2-(4-methoxybenzoyl)-1H-pyrrol-1-yl)prop-...)
Show SMILES COc1ccc(cc1)C(=O)c1cccn1C\C=C\c1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C23H21NO5/c1-28-19-11-9-18(10-12-19)23(27)21-8-4-14-24(21)13-3-6-17-5-2-7-20(15-17)29-16-22(25)26/h2-12,14-15H,13,16H2,1H3,(H,25,26)/b6-3+
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n/an/an/an/a 1.90E+3n/an/an/an/a



Dainippon Sumitomo Pharma Co, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in COS-1 cells cotransfected with Gal4 by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 220-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.032
BindingDB Entry DOI: 10.7270/Q2668DGT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50334216
PNG
(2-(3-(3-(2-(4-methylbenzoyl)-1H-pyrrol-1-yl)prop-1...)
Show SMILES Cc1ccc(cc1)C(=O)c1cccn1C\C=C\c1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C23H21NO4/c1-17-9-11-19(12-10-17)23(27)21-8-4-14-24(21)13-3-6-18-5-2-7-20(15-18)28-16-22(25)26/h2-12,14-15H,13,16H2,1H3,(H,25,26)/b6-3+
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n/an/an/an/a 1.20E+3n/an/an/an/a



Dainippon Sumitomo Pharma Co, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in COS-1 cells cotransfected with Gal4 by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 220-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.032
BindingDB Entry DOI: 10.7270/Q2668DGT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50049240
PNG
((+-)-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)m...)
Show SMILES CCc1ccc(CCOc2ccc(Cc3sc(=O)[nH]c3O)cc2)nc1
Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,22H,2,9-11H2,1H3,(H,21,23)
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n/an/an/an/a 390n/an/an/an/a



Dainippon Sumitomo Pharma Co, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in COS-1 cells cotransfected with Gal4 by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 220-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.032
BindingDB Entry DOI: 10.7270/Q2668DGT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50334217
PNG
(5-chloro-2-(3-(2-(4-methoxybenzoyl)-4-methyl-1H-py...)
Show SMILES COc1ccc(cc1)C(=O)c1cc(C)cn1C\C=C\c1ccc(Cl)cc1C(=O)NS(C)(=O)=O
Show InChI InChI=1S/C24H23ClN2O5S/c1-16-13-22(23(28)18-7-10-20(32-2)11-8-18)27(15-16)12-4-5-17-6-9-19(25)14-21(17)24(29)26-33(3,30)31/h4-11,13-15H,12H2,1-3H3,(H,26,29)/b5-4+
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n/an/an/an/a>9.00E+4n/an/an/an/a



Dainippon Sumitomo Pharma Co, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in COS-1 cells cotransfected with Gal4 by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 220-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.032
BindingDB Entry DOI: 10.7270/Q2668DGT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50334218
PNG
(2-(3-(3-(2-(4-methoxybenzoyl)-1H-pyrrol-1-yl)prop-...)
Show SMILES COc1ccc(cc1)C(=O)c1cccn1C\C=C\c1cccc(CC(O)=O)c1
Show InChI InChI=1S/C23H21NO4/c1-28-20-11-9-19(10-12-20)23(27)21-8-4-14-24(21)13-3-7-17-5-2-6-18(15-17)16-22(25)26/h2-12,14-15H,13,16H2,1H3,(H,25,26)/b7-3+
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n/an/an/an/a 2.10E+4n/an/an/an/a



Dainippon Sumitomo Pharma Co, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in COS-1 cells cotransfected with Gal4 by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 220-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.032
BindingDB Entry DOI: 10.7270/Q2668DGT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28700
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...)
Show SMILES CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
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n/an/an/an/a 1.20E+4n/an/an/an/a



Dainippon Sumitomo Pharma Co, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in COS-1 cells cotransfected with Gal4 by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 220-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.032
BindingDB Entry DOI: 10.7270/Q2668DGT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50334219
PNG
(2-(3-(3-(2-(4-methoxybenzoyl)-1H-pyrrol-1-yl)prop-...)
Show SMILES COc1ccc(cc1)C(=O)c1cccn1C\C=C\c1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C23H21NO5/c1-28-19-11-9-18(10-12-19)23(27)21-8-4-14-24(21)13-3-6-17-5-2-7-20(15-17)29-16-22(25)26/h2-12,14-15H,13,16H2,1H3,(H,25,26)/b6-3+
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n/an/an/an/a 3.70E+3n/an/an/an/a



Dainippon Sumitomo Pharma Co, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in COS-1 cells cotransfected with Gal4 by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 220-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.032
BindingDB Entry DOI: 10.7270/Q2668DGT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50334216
PNG
(2-(3-(3-(2-(4-methylbenzoyl)-1H-pyrrol-1-yl)prop-1...)
Show SMILES Cc1ccc(cc1)C(=O)c1cccn1C\C=C\c1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C23H21NO4/c1-17-9-11-19(12-10-17)23(27)21-8-4-14-24(21)13-3-6-18-5-2-7-20(15-18)28-16-22(25)26/h2-12,14-15H,13,16H2,1H3,(H,25,26)/b6-3+
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n/an/an/an/a 1.80E+3n/an/an/an/a



Dainippon Sumitomo Pharma Co, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in COS-1 cells cotransfected with Gal4 by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 220-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.032
BindingDB Entry DOI: 10.7270/Q2668DGT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50049240
PNG
((+-)-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)m...)
Show SMILES CCc1ccc(CCOc2ccc(Cc3sc(=O)[nH]c3O)cc2)nc1
Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,22H,2,9-11H2,1H3,(H,21,23)
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n/an/an/an/a 390n/an/an/an/a



Dainippon Sumitomo Pharma Co, Ltd

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma expressed in CHO cells cotransfected with Gal4-responsive luciferase reporter plasmid after 24 hrs by tra...


Bioorg Med Chem Lett 21: 1978-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.032
BindingDB Entry DOI: 10.7270/Q2PC32N3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50341143
PNG
((E)-2-(3-(3-(2-(4-methylbenzoyl)-1H-imidazol-1-yl)...)
Show SMILES Cc1ccc(cc1)C(=O)c1nccn1C\C=C\c1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C22H20N2O4/c1-16-7-9-18(10-8-16)21(27)22-23-11-13-24(22)12-3-5-17-4-2-6-19(14-17)28-15-20(25)26/h2-11,13-14H,12,15H2,1H3,(H,25,26)/b5-3+
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n/an/an/an/a>1.00E+4n/an/an/an/a



Dainippon Sumitomo Pharma Co, Ltd

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma expressed in CHO cells cotransfected with Gal4-responsive luciferase reporter plasmid after 24 hrs by tra...


Bioorg Med Chem Lett 21: 1978-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.032
BindingDB Entry DOI: 10.7270/Q2PC32N3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50341144
PNG
((E)-2-(3-(3-(2-(4-methylbenzoyl)-1H-benzo[d]imidaz...)
Show SMILES Cc1ccc(cc1)C(=O)c1nc2ccccc2n1C\C=C\c1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C26H22N2O4/c1-18-11-13-20(14-12-18)25(31)26-27-22-9-2-3-10-23(22)28(26)15-5-7-19-6-4-8-21(16-19)32-17-24(29)30/h2-14,16H,15,17H2,1H3,(H,29,30)/b7-5+
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n/an/an/an/a 4.60E+3n/an/an/an/a



Dainippon Sumitomo Pharma Co, Ltd

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma expressed in CHO cells cotransfected with Gal4-responsive luciferase reporter plasmid after 24 hrs by tra...


Bioorg Med Chem Lett 21: 1978-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.032
BindingDB Entry DOI: 10.7270/Q2PC32N3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50341145
PNG
((E)-2-methyl-2-(3-(3-(2-(4-methylbenzoyl)-1H-imida...)
Show SMILES Cc1ccc(cc1)C(=O)c1nccn1C\C=C\c1cccc(OC(C)(C)C(O)=O)c1
Show InChI InChI=1S/C24H24N2O4/c1-17-9-11-19(12-10-17)21(27)22-25-13-15-26(22)14-5-7-18-6-4-8-20(16-18)30-24(2,3)23(28)29/h4-13,15-16H,14H2,1-3H3,(H,28,29)/b7-5+
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n/an/an/an/a 1.20E+4n/an/an/an/a



Dainippon Sumitomo Pharma Co, Ltd

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma expressed in CHO cells cotransfected with Gal4-responsive luciferase reporter plasmid after 24 hrs by tra...


Bioorg Med Chem Lett 21: 1978-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.032
BindingDB Entry DOI: 10.7270/Q2PC32N3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50341146
PNG
((E)-2-(3-(3-(4,5-dimethyl-2-(4-methylbenzoyl)-1H-i...)
Show SMILES Cc1nc(C(=O)c2ccc(C)cc2)n(C\C=C\c2cccc(OC(C)(C)C(O)=O)c2)c1C
Show InChI InChI=1S/C26H28N2O4/c1-17-11-13-21(14-12-17)23(29)24-27-18(2)19(3)28(24)15-7-9-20-8-6-10-22(16-20)32-26(4,5)25(30)31/h6-14,16H,15H2,1-5H3,(H,30,31)/b9-7+
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n/an/an/an/a 4.80E+3n/an/an/an/a



Dainippon Sumitomo Pharma Co, Ltd

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma expressed in CHO cells cotransfected with Gal4-responsive luciferase reporter plasmid after 24 hrs by tra...


Bioorg Med Chem Lett 21: 1978-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.032
BindingDB Entry DOI: 10.7270/Q2PC32N3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50341147
PNG
((E)-2-methyl-2-(3-(3-(2-(4-methylbenzoyl)-4,5,6,7-...)
Show SMILES Cc1ccc(cc1)C(=O)c1nc2CCCCc2n1C\C=C\c1cccc(OC(C)(C)C(O)=O)c1
Show InChI InChI=1S/C28H30N2O4/c1-19-13-15-21(16-14-19)25(31)26-29-23-11-4-5-12-24(23)30(26)17-7-9-20-8-6-10-22(18-20)34-28(2,3)27(32)33/h6-10,13-16,18H,4-5,11-12,17H2,1-3H3,(H,32,33)/b9-7+
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n/an/an/an/a 3.00E+3n/an/an/an/a



Dainippon Sumitomo Pharma Co, Ltd

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma expressed in CHO cells cotransfected with Gal4-responsive luciferase reporter plasmid after 24 hrs by tra...


Bioorg Med Chem Lett 21: 1978-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.032
BindingDB Entry DOI: 10.7270/Q2PC32N3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50341148
PNG
((E)-2-methyl-2-(3-(3-(2-(4-methylbenzoyl)-1H-benzo...)
Show SMILES Cc1ccc(cc1)C(=O)c1nc2ccccc2n1C\C=C\c1cccc(OC(C)(C)C(O)=O)c1
Show InChI InChI=1S/C28H26N2O4/c1-19-13-15-21(16-14-19)25(31)26-29-23-11-4-5-12-24(23)30(26)17-7-9-20-8-6-10-22(18-20)34-28(2,3)27(32)33/h4-16,18H,17H2,1-3H3,(H,32,33)/b9-7+
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n/an/an/an/a 1.70E+3n/an/an/an/a



Dainippon Sumitomo Pharma Co, Ltd

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma expressed in CHO cells cotransfected with Gal4-responsive luciferase reporter plasmid after 24 hrs by tra...


Bioorg Med Chem Lett 21: 1978-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.032
BindingDB Entry DOI: 10.7270/Q2PC32N3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50341149
PNG
((E)-2-methyl-2-(3-(2-(2-(4-methylbenzoyl)-1H-benzo...)
Show SMILES Cc1ccc(cc1)C(=O)c1nc2ccccc2n1\C=C\c1cccc(OC(C)(C)C(O)=O)c1
Show InChI InChI=1S/C27H24N2O4/c1-18-11-13-20(14-12-18)24(30)25-28-22-9-4-5-10-23(22)29(25)16-15-19-7-6-8-21(17-19)33-27(2,3)26(31)32/h4-17H,1-3H3,(H,31,32)/b16-15+
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n/an/an/an/a 130n/an/an/an/a



Dainippon Sumitomo Pharma Co, Ltd

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma expressed in CHO cells cotransfected with Gal4-responsive luciferase reporter plasmid after 24 hrs by tra...


Bioorg Med Chem Lett 21: 1978-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.032
BindingDB Entry DOI: 10.7270/Q2PC32N3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50341150
PNG
(2-methyl-2-(3-((2-(4-methylbenzoyl)-1H-benzo[d]imi...)
Show SMILES Cc1ccc(cc1)C(=O)c1nc2ccccc2n1Cc1cccc(OC(C)(C)C(O)=O)c1
Show InChI InChI=1S/C26H24N2O4/c1-17-11-13-19(14-12-17)23(29)24-27-21-9-4-5-10-22(21)28(24)16-18-7-6-8-20(15-18)32-26(2,3)25(30)31/h4-15H,16H2,1-3H3,(H,30,31)
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n/an/an/an/a 6.00E+3n/an/an/an/a



Dainippon Sumitomo Pharma Co, Ltd

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma expressed in CHO cells cotransfected with Gal4-responsive luciferase reporter plasmid after 24 hrs by tra...


Bioorg Med Chem Lett 21: 1978-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.032
BindingDB Entry DOI: 10.7270/Q2PC32N3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50341151
PNG
(2-methyl-2-(3-(2-(4-methylbenzoyl)-1H-benzo[d]imid...)
Show SMILES Cc1ccc(cc1)C(=O)c1nc2ccccc2n1-c1cccc(OC(C)(C)C(O)=O)c1
Show InChI InChI=1S/C25H22N2O4/c1-16-11-13-17(14-12-16)22(28)23-26-20-9-4-5-10-21(20)27(23)18-7-6-8-19(15-18)31-25(2,3)24(29)30/h4-15H,1-3H3,(H,29,30)
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n/an/an/an/a 3.30E+3n/an/an/an/a



Dainippon Sumitomo Pharma Co, Ltd

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma expressed in CHO cells cotransfected with Gal4-responsive luciferase reporter plasmid after 24 hrs by tra...


Bioorg Med Chem Lett 21: 1978-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.032
BindingDB Entry DOI: 10.7270/Q2PC32N3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50341148
PNG
((E)-2-methyl-2-(3-(3-(2-(4-methylbenzoyl)-1H-benzo...)
Show SMILES Cc1ccc(cc1)C(=O)c1nc2ccccc2n1C\C=C\c1cccc(OC(C)(C)C(O)=O)c1
Show InChI InChI=1S/C28H26N2O4/c1-19-13-15-21(16-14-19)25(31)26-29-23-11-4-5-12-24(23)30(26)17-7-9-20-8-6-10-22(18-20)34-28(2,3)27(32)33/h4-16,18H,17H2,1-3H3,(H,32,33)/b9-7+
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n/an/an/an/a 1.70E+3n/an/an/an/a



Dainippon Sumitomo Pharma Co, Ltd

Curated by ChEMBL


Assay Description
Partial agonist activity at mouse PPARalpha expressed in CHO cells cotransfected with Gal4-responsive luciferase reporter plasmid after 24 hrs by tra...


Bioorg Med Chem Lett 21: 1978-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.032
BindingDB Entry DOI: 10.7270/Q2PC32N3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28700
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...)
Show SMILES CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
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n/an/an/an/a 1.20E+4n/an/an/an/a



Dainippon Sumitomo Pharma Co, Ltd

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARalpha expressed in CHO cells cotransfected with Gal4-responsive luciferase reporter plasmid after 24 hrs by tra...


Bioorg Med Chem Lett 21: 1978-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.032
BindingDB Entry DOI: 10.7270/Q2PC32N3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50341143
PNG
((E)-2-(3-(3-(2-(4-methylbenzoyl)-1H-imidazol-1-yl)...)
Show SMILES Cc1ccc(cc1)C(=O)c1nccn1C\C=C\c1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C22H20N2O4/c1-16-7-9-18(10-8-16)21(27)22-23-11-13-24(22)12-3-5-17-4-2-6-19(14-17)28-15-20(25)26/h2-11,13-14H,12,15H2,1H3,(H,25,26)/b5-3+
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n/an/an/an/a>1.00E+4n/an/an/an/a



Dainippon Sumitomo Pharma Co, Ltd

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARalpha expressed in CHO cells cotransfected with Gal4-responsive luciferase reporter plasmid after 24 hrs by tra...


Bioorg Med Chem Lett 21: 1978-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.032
BindingDB Entry DOI: 10.7270/Q2PC32N3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50341144
PNG
((E)-2-(3-(3-(2-(4-methylbenzoyl)-1H-benzo[d]imidaz...)
Show SMILES Cc1ccc(cc1)C(=O)c1nc2ccccc2n1C\C=C\c1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C26H22N2O4/c1-18-11-13-20(14-12-18)25(31)26-27-22-9-2-3-10-23(22)28(26)15-5-7-19-6-4-8-21(16-19)32-17-24(29)30/h2-14,16H,15,17H2,1H3,(H,29,30)/b7-5+
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n/an/an/an/a>1.00E+4n/an/an/an/a



Dainippon Sumitomo Pharma Co, Ltd

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARalpha expressed in CHO cells cotransfected with Gal4-responsive luciferase reporter plasmid after 24 hrs by tra...


Bioorg Med Chem Lett 21: 1978-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.032
BindingDB Entry DOI: 10.7270/Q2PC32N3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50341145
PNG
((E)-2-methyl-2-(3-(3-(2-(4-methylbenzoyl)-1H-imida...)
Show SMILES Cc1ccc(cc1)C(=O)c1nccn1C\C=C\c1cccc(OC(C)(C)C(O)=O)c1
Show InChI InChI=1S/C24H24N2O4/c1-17-9-11-19(12-10-17)21(27)22-25-13-15-26(22)14-5-7-18-6-4-8-20(16-18)30-24(2,3)23(28)29/h4-13,15-16H,14H2,1-3H3,(H,28,29)/b7-5+
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n/an/an/an/a 620n/an/an/an/a



Dainippon Sumitomo Pharma Co, Ltd

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARalpha expressed in CHO cells cotransfected with Gal4-responsive luciferase reporter plasmid after 24 hrs by tra...


Bioorg Med Chem Lett 21: 1978-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.032
BindingDB Entry DOI: 10.7270/Q2PC32N3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50341146
PNG
((E)-2-(3-(3-(4,5-dimethyl-2-(4-methylbenzoyl)-1H-i...)
Show SMILES Cc1nc(C(=O)c2ccc(C)cc2)n(C\C=C\c2cccc(OC(C)(C)C(O)=O)c2)c1C
Show InChI InChI=1S/C26H28N2O4/c1-17-11-13-21(14-12-17)23(29)24-27-18(2)19(3)28(24)15-7-9-20-8-6-10-22(16-20)32-26(4,5)25(30)31/h6-14,16H,15H2,1-5H3,(H,30,31)/b9-7+
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n/an/an/an/a 3.60E+3n/an/an/an/a



Dainippon Sumitomo Pharma Co, Ltd

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARalpha expressed in CHO cells cotransfected with Gal4-responsive luciferase reporter plasmid after 24 hrs by tra...


Bioorg Med Chem Lett 21: 1978-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.032
BindingDB Entry DOI: 10.7270/Q2PC32N3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50341147
PNG
((E)-2-methyl-2-(3-(3-(2-(4-methylbenzoyl)-4,5,6,7-...)
Show SMILES Cc1ccc(cc1)C(=O)c1nc2CCCCc2n1C\C=C\c1cccc(OC(C)(C)C(O)=O)c1
Show InChI InChI=1S/C28H30N2O4/c1-19-13-15-21(16-14-19)25(31)26-29-23-11-4-5-12-24(23)30(26)17-7-9-20-8-6-10-22(18-20)34-28(2,3)27(32)33/h6-10,13-16,18H,4-5,11-12,17H2,1-3H3,(H,32,33)/b9-7+
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n/an/an/an/a 3.60E+3n/an/an/an/a



Dainippon Sumitomo Pharma Co, Ltd

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARalpha expressed in CHO cells cotransfected with Gal4-responsive luciferase reporter plasmid after 24 hrs by tra...


Bioorg Med Chem Lett 21: 1978-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.032
BindingDB Entry DOI: 10.7270/Q2PC32N3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50341148
PNG
((E)-2-methyl-2-(3-(3-(2-(4-methylbenzoyl)-1H-benzo...)
Show SMILES Cc1ccc(cc1)C(=O)c1nc2ccccc2n1C\C=C\c1cccc(OC(C)(C)C(O)=O)c1
Show InChI InChI=1S/C28H26N2O4/c1-19-13-15-21(16-14-19)25(31)26-29-23-11-4-5-12-24(23)30(26)17-7-9-20-8-6-10-22(18-20)34-28(2,3)27(32)33/h4-16,18H,17H2,1-3H3,(H,32,33)/b9-7+
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n/an/an/an/a 3.60E+3n/an/an/an/a



Dainippon Sumitomo Pharma Co, Ltd

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARalpha expressed in CHO cells cotransfected with Gal4-responsive luciferase reporter plasmid after 24 hrs by tra...


Bioorg Med Chem Lett 21: 1978-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.032
BindingDB Entry DOI: 10.7270/Q2PC32N3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50334217
PNG
(5-chloro-2-(3-(2-(4-methoxybenzoyl)-4-methyl-1H-py...)
Show SMILES COc1ccc(cc1)C(=O)c1cc(C)cn1C\C=C\c1ccc(Cl)cc1C(=O)NS(C)(=O)=O
Show InChI InChI=1S/C24H23ClN2O5S/c1-16-13-22(23(28)18-7-10-20(32-2)11-8-18)27(15-16)12-4-5-17-6-9-19(25)14-21(17)24(29)26-33(3,30)31/h4-11,13-15H,12H2,1-3H3,(H,26,29)/b5-4+
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n/an/an/an/a 1.20E+4n/an/an/an/a



Dainippon Sumitomo Pharma Co, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in COS-1 cells cotransfected with Gal4 by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 220-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.032
BindingDB Entry DOI: 10.7270/Q2668DGT
More data for this
Ligand-Target Pair