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PubMed code 22209730

Compile data set for download or QSAR
Found 73 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (human))
BDBM50361337
PNG
(CHEMBL1933845)
Show SMILES CCCCCS(=O)(=O)NC(=O)\C=C\c1cc(nn1Cc1ccc(cc1Cl)C(F)(F)F)C1CC1
Show InChI InChI=1S/C22H25ClF3N3O3S/c1-2-3-4-11-33(31,32)28-21(30)10-9-18-13-20(15-5-6-15)27-29(18)14-16-7-8-17(12-19(16)23)22(24,25)26/h7-10,12-13,15H,2-6,11,14H2,1H3,(H,28,30)/b10-9+
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n/an/a 12n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-AD-5061 from human GST-tagged PPARgamma


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50361338
PNG
(CHEMBL1933842)
Show SMILES CC(C)CCS(=O)(=O)NC(=O)\C=C\c1cc(OC(C)C)nn1Cc1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C22H27ClF3N3O4S/c1-14(2)9-10-34(31,32)28-20(30)8-7-18-12-21(33-15(3)4)27-29(18)13-16-5-6-17(11-19(16)23)22(24,25)26/h5-8,11-12,14-15H,9-10,13H2,1-4H3,(H,28,30)/b8-7+
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n/an/a 15n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-AD-5061 from human GST-tagged PPARgamma


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50361340
PNG
(CHEMBL1933822)
Show SMILES CCCCCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C22H29ClF3N3O4S/c1-4-5-6-11-34(31,32)28-20(30)10-9-18-13-21(33-15(2)3)27-29(18)14-16-7-8-17(12-19(16)23)22(24,25)26/h7-8,12-13,15H,4-6,9-11,14H2,1-3H3,(H,28,30)
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n/an/a 21n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-AD-5061 from human GST-tagged PPARgamma


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50361339
PNG
(CHEMBL1933841)
Show SMILES CCCCCS(=O)(=O)NC(=O)\C=C\c1cc(OC(C)C)nn1Cc1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C22H27ClF3N3O4S/c1-4-5-6-11-34(31,32)28-20(30)10-9-18-13-21(33-15(2)3)27-29(18)14-16-7-8-17(12-19(16)23)22(24,25)26/h7-10,12-13,15H,4-6,11,14H2,1-3H3,(H,28,30)/b10-9+
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n/an/a 23n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-AD-5061 from human GST-tagged PPARgamma


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50361340
PNG
(CHEMBL1933822)
Show SMILES CCCCCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C22H29ClF3N3O4S/c1-4-5-6-11-34(31,32)28-20(30)10-9-18-13-21(33-15(2)3)27-29(18)14-16-7-8-17(12-19(16)23)22(24,25)26/h7-8,12-13,15H,4-6,9-11,14H2,1-3H3,(H,28,30)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta expressed in COS-1 cells after 2 days by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50361341
PNG
(CHEMBL1933844)
Show SMILES CCCCCS(=O)(=O)NC(=O)\C=C\c1cc(nn1Cc1ccc(Cl)cc1Cl)C(C)C
Show InChI InChI=1S/C21H27Cl2N3O3S/c1-4-5-6-11-30(28,29)25-21(27)10-9-18-13-20(15(2)3)24-26(18)14-16-7-8-17(22)12-19(16)23/h7-10,12-13,15H,4-6,11,14H2,1-3H3,(H,25,27)/b10-9+
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in COS-1 cells after 1 day by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50361352
PNG
(CHEMBL1933826)
Show SMILES CC(C)Oc1cc(CCC(=O)NS(=O)(=O)C2CCCCC2)n(Cc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C22H29Cl2N3O4S/c1-15(2)31-22-13-18(27(25-22)14-16-8-9-17(23)12-20(16)24)10-11-21(28)26-32(29,30)19-6-4-3-5-7-19/h8-9,12-13,15,19H,3-7,10-11,14H2,1-2H3,(H,26,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in COS-1 cells after 1 day by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50361357
PNG
(CHEMBL1933847)
Show SMILES CCCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H25Cl2N3O4S/c1-4-9-29(26,27)23-18(25)8-7-16-11-19(28-13(2)3)22-24(16)12-14-5-6-15(20)10-17(14)21/h5-6,10-11,13H,4,7-9,12H2,1-3H3,(H,23,25)
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n/an/an/an/a 160n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at full length human PPARgamma1 transfected in human CHOK1 cells co expressing RXRalpha and PPRE after 1 day by luciferase reporter ...


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50361343
PNG
(CHEMBL1933840)
Show SMILES CCCCCS(=O)(=O)NC(=O)\C=C\c1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H27Cl2N3O4S/c1-4-5-6-11-31(28,29)25-20(27)10-9-18-13-21(30-15(2)3)24-26(18)14-16-7-8-17(22)12-19(16)23/h7-10,12-13,15H,4-6,11,14H2,1-3H3,(H,25,27)/b10-9+
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n/an/an/an/a 20n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at full length human PPARgamma1 transfected in human CHOK1 cells co expressing RXRalpha and PPRE after 1 day by luciferase reporter ...


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50361360
PNG
(CHEMBL1933838)
Show SMILES CCCCCS(=O)(=O)NC(=O)CCCc1cc(OCCCC)nn1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H33Cl2N3O4S/c1-3-5-7-14-33(30,31)27-22(29)10-8-9-20-16-23(32-13-6-4-2)26-28(20)17-18-11-12-19(24)15-21(18)25/h11-12,15-16H,3-10,13-14,17H2,1-2H3,(H,27,29)
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n/an/an/an/a 67n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at full length human PPARgamma1 transfected in human CHOK1 cells co expressing RXRalpha and PPRE after 1 day by luciferase reporter ...


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50361361
PNG
(CHEMBL1933075)
Show SMILES CCCCCS(=O)(=O)NC(=O)Cc1cc(OCCCC)nn1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H29Cl2N3O4S/c1-3-5-7-11-31(28,29)25-20(27)13-18-14-21(30-10-6-4-2)24-26(18)15-16-8-9-17(22)12-19(16)23/h8-9,12,14H,3-7,10-11,13,15H2,1-2H3,(H,25,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at full length human PPARgamma1 transfected in human CHOK1 cells co expressing RXRalpha and PPRE after 1 day by luciferase reporter ...


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50361345
PNG
(CHEMBL1933835)
Show SMILES CCCCCS(=O)(=O)NC(=O)CCc1cc(nn1Cc1ccc(cc1Cl)C(F)(F)F)C1CC1
Show InChI InChI=1S/C22H27ClF3N3O3S/c1-2-3-4-11-33(31,32)28-21(30)10-9-18-13-20(15-5-6-15)27-29(18)14-16-7-8-17(12-19(16)23)22(24,25)26/h7-8,12-13,15H,2-6,9-11,14H2,1H3,(H,28,30)
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n/an/an/an/a 13n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at full length human PPARgamma1 transfected in human CHOK1 cells co expressing RXRalpha and PPRE after 1 day by luciferase reporter ...


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50361354
PNG
(CHEMBL1933824)
Show SMILES CCCCCCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H31Cl2N3O4S/c1-4-5-6-7-12-32(29,30)26-21(28)11-10-19-14-22(31-16(2)3)25-27(19)15-17-8-9-18(23)13-20(17)24/h8-9,13-14,16H,4-7,10-12,15H2,1-3H3,(H,26,28)
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n/an/an/an/a 21n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at full length human PPARgamma1 transfected in human CHOK1 cells co expressing RXRalpha and PPRE after 1 day by luciferase reporter ...


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50361356
PNG
(CHEMBL1933834)
Show SMILES CCCCCS(=O)(=O)NC(=O)CCc1cc(nn1Cc1ccc(cc1Cl)C(F)(F)F)C(C)C
Show InChI InChI=1S/C22H29ClF3N3O3S/c1-4-5-6-11-33(31,32)28-21(30)10-9-18-13-20(15(2)3)27-29(18)14-16-7-8-17(12-19(16)23)22(24,25)26/h7-8,12-13,15H,4-6,9-11,14H2,1-3H3,(H,28,30)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta expressed in COS-1 cells after 2 days by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50361339
PNG
(CHEMBL1933841)
Show SMILES CCCCCS(=O)(=O)NC(=O)\C=C\c1cc(OC(C)C)nn1Cc1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C22H27ClF3N3O4S/c1-4-5-6-11-34(31,32)28-20(30)10-9-18-13-21(33-15(2)3)27-29(18)14-16-7-8-17(12-19(16)23)22(24,25)26/h7-10,12-13,15H,4-6,11,14H2,1-3H3,(H,28,30)/b10-9+
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta expressed in COS-1 cells after 2 days by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50361343
PNG
(CHEMBL1933840)
Show SMILES CCCCCS(=O)(=O)NC(=O)\C=C\c1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H27Cl2N3O4S/c1-4-5-6-11-31(28,29)25-20(27)10-9-18-13-21(30-15(2)3)24-26(18)14-16-7-8-17(22)12-19(16)23/h7-10,12-13,15H,4-6,11,14H2,1-3H3,(H,25,27)/b10-9+
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta expressed in COS-1 cells after 2 days by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50361349
PNG
(CHEMBL1933830)
Show SMILES CCCCCS(=O)(=O)NC(=O)CCc1cc(OCCOC)nn1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H29Cl2N3O5S/c1-3-4-5-12-32(28,29)25-20(27)9-8-18-14-21(31-11-10-30-2)24-26(18)15-16-6-7-17(22)13-19(16)23/h6-7,13-14H,3-5,8-12,15H2,1-2H3,(H,25,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta expressed in COS-1 cells after 2 days by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50361353
PNG
(CHEMBL1933825)
Show SMILES CC(C)CCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H29Cl2N3O4S/c1-14(2)9-10-31(28,29)25-20(27)8-7-18-12-21(30-15(3)4)24-26(18)13-16-5-6-17(22)11-19(16)23/h5-6,11-12,14-15H,7-10,13H2,1-4H3,(H,25,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta expressed in COS-1 cells after 2 days by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50361342
PNG
(CHEMBL1933843)
Show SMILES COCCOc1cc(\C=C\C(=O)NS(=O)(=O)CCC(C)C)n(Cc2ccc(cc2Cl)C(F)(F)F)n1
Show InChI InChI=1S/C22H27ClF3N3O5S/c1-15(2)8-11-35(31,32)28-20(30)7-6-18-13-21(34-10-9-33-3)27-29(18)14-16-4-5-17(12-19(16)23)22(24,25)26/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,28,30)/b7-6+
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in COS-1 cells after 1 day by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50361338
PNG
(CHEMBL1933842)
Show SMILES CC(C)CCS(=O)(=O)NC(=O)\C=C\c1cc(OC(C)C)nn1Cc1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C22H27ClF3N3O4S/c1-14(2)9-10-34(31,32)28-20(30)8-7-18-12-21(33-15(3)4)27-29(18)13-16-5-6-17(11-19(16)23)22(24,25)26/h5-8,11-12,14-15H,9-10,13H2,1-4H3,(H,28,30)/b8-7+
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in COS-1 cells after 1 day by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50361354
PNG
(CHEMBL1933824)
Show SMILES CCCCCCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H31Cl2N3O4S/c1-4-5-6-7-12-32(29,30)26-21(28)11-10-19-14-22(31-16(2)3)25-27(19)15-17-8-9-18(23)13-20(17)24/h8-9,13-14,16H,4-7,10-12,15H2,1-3H3,(H,26,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in COS-1 cells after 1 day by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50361342
PNG
(CHEMBL1933843)
Show SMILES COCCOc1cc(\C=C\C(=O)NS(=O)(=O)CCC(C)C)n(Cc2ccc(cc2Cl)C(F)(F)F)n1
Show InChI InChI=1S/C22H27ClF3N3O5S/c1-15(2)8-11-35(31,32)28-20(30)7-6-18-13-21(34-10-9-33-3)27-29(18)14-16-4-5-17(12-19(16)23)22(24,25)26/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,28,30)/b7-6+
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n/an/an/an/a 9n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at full length human PPARgamma1 transfected in human CHOK1 cells co expressing RXRalpha and PPRE after 1 day by luciferase reporter ...


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50361356
PNG
(CHEMBL1933834)
Show SMILES CCCCCS(=O)(=O)NC(=O)CCc1cc(nn1Cc1ccc(cc1Cl)C(F)(F)F)C(C)C
Show InChI InChI=1S/C22H29ClF3N3O3S/c1-4-5-6-11-33(31,32)28-21(30)10-9-18-13-20(15(2)3)27-29(18)14-16-7-8-17(12-19(16)23)22(24,25)26/h7-8,12-13,15H,4-6,9-11,14H2,1-3H3,(H,28,30)
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n/an/an/an/a 8.40n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at full length human PPARgamma1 transfected in human CHOK1 cells co expressing RXRalpha and PPRE after 1 day by luciferase reporter ...


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50361348
PNG
(CHEMBL1933831)
Show SMILES CCCCCS(=O)(=O)NC(=O)CCc1cc(OCc2ccccc2)nn1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H29Cl2N3O4S/c1-2-3-7-14-35(32,33)29-24(31)13-12-22-16-25(34-18-19-8-5-4-6-9-19)28-30(22)17-20-10-11-21(26)15-23(20)27/h4-6,8-11,15-16H,2-3,7,12-14,17-18H2,1H3,(H,29,31)
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n/an/an/an/a 14n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at full length human PPARgamma1 transfected in human CHOK1 cells co expressing RXRalpha and PPRE after 1 day by luciferase reporter ...


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50361364
PNG
(CHEMBL1933820)
Show SMILES CC(C)Oc1cc(CCC(O)=O)n(Cc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C16H18Cl2N2O3/c1-10(2)23-15-8-13(5-6-16(21)22)20(19-15)9-11-3-4-12(17)7-14(11)18/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,21,22)
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n/an/an/an/a 500n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at full length human PPARgamma1 transfected in human CHOK1 cells co expressing RXRalpha and PPRE after 1 day by luciferase reporter ...


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50361346
PNG
(CHEMBL1933833)
Show SMILES CCCCCS(=O)(=O)NC(=O)CCc1cc(nn1Cc1ccc(Cl)cc1Cl)C(C)C
Show InChI InChI=1S/C21H29Cl2N3O3S/c1-4-5-6-11-30(28,29)25-21(27)10-9-18-13-20(15(2)3)24-26(18)14-16-7-8-17(22)12-19(16)23/h7-8,12-13,15H,4-6,9-11,14H2,1-3H3,(H,25,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta expressed in COS-1 cells after 2 days by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50361345
PNG
(CHEMBL1933835)
Show SMILES CCCCCS(=O)(=O)NC(=O)CCc1cc(nn1Cc1ccc(cc1Cl)C(F)(F)F)C1CC1
Show InChI InChI=1S/C22H27ClF3N3O3S/c1-2-3-4-11-33(31,32)28-21(30)10-9-18-13-20(15-5-6-15)27-29(18)14-16-7-8-17(12-19(16)23)22(24,25)26/h7-8,12-13,15H,2-6,9-11,14H2,1H3,(H,28,30)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in COS-1 cells after 1 day by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50361359
PNG
(CHEMBL1933839)
Show SMILES CCCCCS(=O)(=O)NC(=O)CCCCc1cc(OCCCC)nn1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H35Cl2N3O4S/c1-3-5-9-15-34(31,32)28-23(30)11-8-7-10-21-17-24(33-14-6-4-2)27-29(21)18-19-12-13-20(25)16-22(19)26/h12-13,16-17H,3-11,14-15,18H2,1-2H3,(H,28,30)
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n/an/an/an/a 29n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at full length human PPARgamma1 transfected in human CHOK1 cells co expressing RXRalpha and PPRE after 1 day by luciferase reporter ...


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50361346
PNG
(CHEMBL1933833)
Show SMILES CCCCCS(=O)(=O)NC(=O)CCc1cc(nn1Cc1ccc(Cl)cc1Cl)C(C)C
Show InChI InChI=1S/C21H29Cl2N3O3S/c1-4-5-6-11-30(28,29)25-21(27)10-9-18-13-20(15(2)3)24-26(18)14-16-7-8-17(22)12-19(16)23/h7-8,12-13,15H,4-6,9-11,14H2,1-3H3,(H,25,27)
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n/an/an/an/a 13n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at full length human PPARgamma1 transfected in human CHOK1 cells co expressing RXRalpha and PPRE after 1 day by luciferase reporter ...


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50361337
PNG
(CHEMBL1933845)
Show SMILES CCCCCS(=O)(=O)NC(=O)\C=C\c1cc(nn1Cc1ccc(cc1Cl)C(F)(F)F)C1CC1
Show InChI InChI=1S/C22H25ClF3N3O3S/c1-2-3-4-11-33(31,32)28-21(30)10-9-18-13-20(15-5-6-15)27-29(18)14-16-7-8-17(12-19(16)23)22(24,25)26/h7-10,12-13,15H,2-6,11,14H2,1H3,(H,28,30)/b10-9+
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta expressed in COS-1 cells after 2 days by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50361350
PNG
(CHEMBL1933829)
Show SMILES CCCCCS(=O)(=O)NC(=O)CCc1cc(OCCCC)nn1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H31Cl2N3O4S/c1-3-5-7-13-32(29,30)26-21(28)11-10-19-15-22(31-12-6-4-2)25-27(19)16-17-8-9-18(23)14-20(17)24/h8-9,14-15H,3-7,10-13,16H2,1-2H3,(H,26,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta expressed in COS-1 cells after 2 days by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50361354
PNG
(CHEMBL1933824)
Show SMILES CCCCCCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H31Cl2N3O4S/c1-4-5-6-7-12-32(29,30)26-21(28)11-10-19-14-22(31-16(2)3)25-27(19)15-17-8-9-18(23)13-20(17)24/h8-9,13-14,16H,4-7,10-12,15H2,1-3H3,(H,26,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta expressed in COS-1 cells after 2 days by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50361337
PNG
(CHEMBL1933845)
Show SMILES CCCCCS(=O)(=O)NC(=O)\C=C\c1cc(nn1Cc1ccc(cc1Cl)C(F)(F)F)C1CC1
Show InChI InChI=1S/C22H25ClF3N3O3S/c1-2-3-4-11-33(31,32)28-21(30)10-9-18-13-20(15-5-6-15)27-29(18)14-16-7-8-17(12-19(16)23)22(24,25)26/h7-10,12-13,15H,2-6,11,14H2,1H3,(H,28,30)/b10-9+
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in COS-1 cells after 1 day by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50361356
PNG
(CHEMBL1933834)
Show SMILES CCCCCS(=O)(=O)NC(=O)CCc1cc(nn1Cc1ccc(cc1Cl)C(F)(F)F)C(C)C
Show InChI InChI=1S/C22H29ClF3N3O3S/c1-4-5-6-11-33(31,32)28-21(30)10-9-18-13-20(15(2)3)27-29(18)14-16-7-8-17(12-19(16)23)22(24,25)26/h7-8,12-13,15H,4-6,9-11,14H2,1-3H3,(H,28,30)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in COS-1 cells after 1 day by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50361348
PNG
(CHEMBL1933831)
Show SMILES CCCCCS(=O)(=O)NC(=O)CCc1cc(OCc2ccccc2)nn1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H29Cl2N3O4S/c1-2-3-7-14-35(32,33)29-24(31)13-12-22-16-25(34-18-19-8-5-4-6-9-19)28-30(22)17-20-10-11-21(26)15-23(20)27/h4-6,8-11,15-16H,2-3,7,12-14,17-18H2,1H3,(H,29,31)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in COS-1 cells after 1 day by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50361363
PNG
(CHEMBL1933823)
Show SMILES CCCCCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H29Cl2N3O4S/c1-4-5-6-11-31(28,29)25-20(27)10-9-18-13-21(30-15(2)3)24-26(18)14-16-7-8-17(22)12-19(16)23/h7-8,12-13,15H,4-6,9-11,14H2,1-3H3,(H,25,27)
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n/an/an/an/a 16n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at full length human PPARgamma1 transfected in human CHOK1 cells co expressing RXRalpha and PPRE after 1 day by luciferase reporter ...


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50361365
PNG
(CHEMBL1933819)
Show SMILES COc1cccc(CC(O)=O)c1OCCCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H28Cl2N2O5/c1-16(2)34-23-14-20(29(28-23)15-18-9-10-19(26)13-21(18)27)7-5-11-33-25-17(12-24(30)31)6-4-8-22(25)32-3/h4,6,8-10,13-14,16H,5,7,11-12,15H2,1-3H3,(H,30,31)
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n/an/an/an/a 2.30n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at full length human PPARgamma1 transfected in human CHOK1 cells co expressing RXRalpha and PPRE after 1 day by luciferase reporter ...


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50361342
PNG
(CHEMBL1933843)
Show SMILES COCCOc1cc(\C=C\C(=O)NS(=O)(=O)CCC(C)C)n(Cc2ccc(cc2Cl)C(F)(F)F)n1
Show InChI InChI=1S/C22H27ClF3N3O5S/c1-15(2)8-11-35(31,32)28-20(30)7-6-18-13-21(34-10-9-33-3)27-29(18)14-16-4-5-17(12-19(16)23)22(24,25)26/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,28,30)/b7-6+
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta expressed in COS-1 cells after 2 days by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50361352
PNG
(CHEMBL1933826)
Show SMILES CC(C)Oc1cc(CCC(=O)NS(=O)(=O)C2CCCCC2)n(Cc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C22H29Cl2N3O4S/c1-15(2)31-22-13-18(27(25-22)14-16-8-9-17(23)12-20(16)24)10-11-21(28)26-32(29,30)19-6-4-3-5-7-19/h8-9,12-13,15,19H,3-7,10-11,14H2,1-2H3,(H,26,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta expressed in COS-1 cells after 2 days by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50361343
PNG
(CHEMBL1933840)
Show SMILES CCCCCS(=O)(=O)NC(=O)\C=C\c1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H27Cl2N3O4S/c1-4-5-6-11-31(28,29)25-20(27)10-9-18-13-21(30-15(2)3)24-26(18)14-16-7-8-17(22)12-19(16)23/h7-10,12-13,15H,4-6,11,14H2,1-3H3,(H,25,27)/b10-9+
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in COS-1 cells after 1 day by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50361355
PNG
(CHEMBL1933821)
Show SMILES CCCCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H27Cl2N3O4S/c1-4-5-10-30(27,28)24-19(26)9-8-17-12-20(29-14(2)3)23-25(17)13-15-6-7-16(21)11-18(15)22/h6-7,11-12,14H,4-5,8-10,13H2,1-3H3,(H,24,26)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in COS-1 cells after 1 day by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50361347
PNG
(CHEMBL1933832)
Show SMILES CCCCCS(=O)(=O)NC(=O)CCc1cc(OCc2ccccn2)nn1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H28Cl2N4O4S/c1-2-3-6-13-35(32,33)29-23(31)11-10-21-15-24(34-17-20-7-4-5-12-27-20)28-30(21)16-18-8-9-19(25)14-22(18)26/h4-5,7-9,12,14-15H,2-3,6,10-11,13,16-17H2,1H3,(H,29,31)
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n/an/an/an/a 120n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at full length human PPARgamma1 transfected in human CHOK1 cells co expressing RXRalpha and PPRE after 1 day by luciferase reporter ...


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50361362
PNG
(CHEMBL1933828)
Show SMILES CC(C)Oc1cc(CCC(=O)NS(=O)(=O)Cc2ccccc2)n(Cc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C23H25Cl2N3O4S/c1-16(2)32-23-13-20(28(26-23)14-18-8-9-19(24)12-21(18)25)10-11-22(29)27-33(30,31)15-17-6-4-3-5-7-17/h3-9,12-13,16H,10-11,14-15H2,1-2H3,(H,27,29)
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n/an/an/an/a 260n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at full length human PPARgamma1 transfected in human CHOK1 cells co expressing RXRalpha and PPRE after 1 day by luciferase reporter ...


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50361338
PNG
(CHEMBL1933842)
Show SMILES CC(C)CCS(=O)(=O)NC(=O)\C=C\c1cc(OC(C)C)nn1Cc1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C22H27ClF3N3O4S/c1-14(2)9-10-34(31,32)28-20(30)8-7-18-12-21(33-15(3)4)27-29(18)13-16-5-6-17(11-19(16)23)22(24,25)26/h5-8,11-12,14-15H,9-10,13H2,1-4H3,(H,28,30)/b8-7+
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta expressed in COS-1 cells after 2 days by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50361344
PNG
(CHEMBL1933836)
Show SMILES CCCCCS(=O)(=O)NC(=O)CCc1cc(nn1Cc1ccc(Cl)cc1Cl)-c1ccccc1
Show InChI InChI=1S/C24H27Cl2N3O3S/c1-2-3-7-14-33(31,32)28-24(30)13-12-21-16-23(18-8-5-4-6-9-18)27-29(21)17-19-10-11-20(25)15-22(19)26/h4-6,8-11,15-16H,2-3,7,12-14,17H2,1H3,(H,28,30)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta expressed in COS-1 cells after 2 days by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50361348
PNG
(CHEMBL1933831)
Show SMILES CCCCCS(=O)(=O)NC(=O)CCc1cc(OCc2ccccc2)nn1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H29Cl2N3O4S/c1-2-3-7-14-35(32,33)29-24(31)13-12-22-16-25(34-18-19-8-5-4-6-9-19)28-30(22)17-20-10-11-21(26)15-23(20)27/h4-6,8-11,15-16H,2-3,7,12-14,17-18H2,1H3,(H,29,31)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta expressed in COS-1 cells after 2 days by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50361339
PNG
(CHEMBL1933841)
Show SMILES CCCCCS(=O)(=O)NC(=O)\C=C\c1cc(OC(C)C)nn1Cc1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C22H27ClF3N3O4S/c1-4-5-6-11-34(31,32)28-20(30)10-9-18-13-21(33-15(2)3)27-29(18)14-16-7-8-17(12-19(16)23)22(24,25)26/h7-10,12-13,15H,4-6,11,14H2,1-3H3,(H,28,30)/b10-9+
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in COS-1 cells after 1 day by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50361347
PNG
(CHEMBL1933832)
Show SMILES CCCCCS(=O)(=O)NC(=O)CCc1cc(OCc2ccccn2)nn1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H28Cl2N4O4S/c1-2-3-6-13-35(32,33)29-23(31)11-10-21-15-24(34-17-20-7-4-5-12-27-20)28-30(21)16-18-8-9-19(25)14-22(18)26/h4-5,7-9,12,14-15H,2-3,6,10-11,13,16-17H2,1H3,(H,29,31)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in COS-1 cells after 1 day by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50361351
PNG
(CHEMBL1933827)
Show SMILES CC(C)Oc1cc(CCC(=O)NS(=O)(=O)c2ccccc2)n(Cc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C22H23Cl2N3O4S/c1-15(2)31-22-13-18(27(25-22)14-16-8-9-17(23)12-20(16)24)10-11-21(28)26-32(29,30)19-6-4-3-5-7-19/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,26,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in COS-1 cells after 1 day by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50361353
PNG
(CHEMBL1933825)
Show SMILES CC(C)CCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H29Cl2N3O4S/c1-14(2)9-10-31(28,29)25-20(27)8-7-18-12-21(30-15(3)4)24-26(18)13-16-5-6-17(22)11-19(16)23/h5-6,11-12,14-15H,7-10,13H2,1-4H3,(H,25,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in COS-1 cells after 1 day by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50361341
PNG
(CHEMBL1933844)
Show SMILES CCCCCS(=O)(=O)NC(=O)\C=C\c1cc(nn1Cc1ccc(Cl)cc1Cl)C(C)C
Show InChI InChI=1S/C21H27Cl2N3O3S/c1-4-5-6-11-30(28,29)25-21(27)10-9-18-13-20(15(2)3)24-26(18)14-16-7-8-17(22)12-19(16)23/h7-10,12-13,15H,4-6,11,14H2,1-3H3,(H,25,27)/b10-9+
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n/an/an/an/a 8.20n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at full length human PPARgamma1 transfected in human CHOK1 cells co expressing RXRalpha and PPRE after 1 day by luciferase reporter ...


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50361339
PNG
(CHEMBL1933841)
Show SMILES CCCCCS(=O)(=O)NC(=O)\C=C\c1cc(OC(C)C)nn1Cc1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C22H27ClF3N3O4S/c1-4-5-6-11-34(31,32)28-20(30)10-9-18-13-21(33-15(2)3)27-29(18)14-16-7-8-17(12-19(16)23)22(24,25)26/h7-10,12-13,15H,4-6,11,14H2,1-3H3,(H,28,30)/b10-9+
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n/an/an/an/a 9.30n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at full length human PPARgamma1 transfected in human CHOK1 cells co expressing RXRalpha and PPRE after 1 day by luciferase reporter ...


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50361349
PNG
(CHEMBL1933830)
Show SMILES CCCCCS(=O)(=O)NC(=O)CCc1cc(OCCOC)nn1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H29Cl2N3O5S/c1-3-4-5-12-32(28,29)25-20(27)9-8-18-14-21(31-11-10-30-2)24-26(18)15-16-6-7-17(22)13-19(16)23/h6-7,13-14H,3-5,8-12,15H2,1-2H3,(H,25,27)
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n/an/an/an/a 31n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at full length human PPARgamma1 transfected in human CHOK1 cells co expressing RXRalpha and PPRE after 1 day by luciferase reporter ...


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50361351
PNG
(CHEMBL1933827)
Show SMILES CC(C)Oc1cc(CCC(=O)NS(=O)(=O)c2ccccc2)n(Cc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C22H23Cl2N3O4S/c1-15(2)31-22-13-18(27(25-22)14-16-8-9-17(23)12-20(16)24)10-11-21(28)26-32(29,30)19-6-4-3-5-7-19/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,26,28)
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n/an/an/an/a 110n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at full length human PPARgamma1 transfected in human CHOK1 cells co expressing RXRalpha and PPRE after 1 day by luciferase reporter ...


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50361353
PNG
(CHEMBL1933825)
Show SMILES CC(C)CCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H29Cl2N3O4S/c1-14(2)9-10-31(28,29)25-20(27)8-7-18-12-21(30-15(3)4)24-26(18)13-16-5-6-17(22)11-19(16)23/h5-6,11-12,14-15H,7-10,13H2,1-4H3,(H,25,27)
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n/an/an/an/a 17n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at full length human PPARgamma1 transfected in human CHOK1 cells co expressing RXRalpha and PPRE after 1 day by luciferase reporter ...


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50361340
PNG
(CHEMBL1933822)
Show SMILES CCCCCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C22H29ClF3N3O4S/c1-4-5-6-11-34(31,32)28-20(30)10-9-18-13-21(33-15(2)3)27-29(18)14-16-7-8-17(12-19(16)23)22(24,25)26/h7-8,12-13,15H,4-6,9-11,14H2,1-3H3,(H,28,30)
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n/an/an/an/a 10n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at full length human PPARgamma1 transfected in human CHOK1 cells co expressing RXRalpha and PPRE after 1 day by luciferase reporter ...


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50361345
PNG
(CHEMBL1933835)
Show SMILES CCCCCS(=O)(=O)NC(=O)CCc1cc(nn1Cc1ccc(cc1Cl)C(F)(F)F)C1CC1
Show InChI InChI=1S/C22H27ClF3N3O3S/c1-2-3-4-11-33(31,32)28-21(30)10-9-18-13-20(15-5-6-15)27-29(18)14-16-7-8-17(12-19(16)23)22(24,25)26/h7-8,12-13,15H,2-6,9-11,14H2,1H3,(H,28,30)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta expressed in COS-1 cells after 2 days by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50361351
PNG
(CHEMBL1933827)
Show SMILES CC(C)Oc1cc(CCC(=O)NS(=O)(=O)c2ccccc2)n(Cc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C22H23Cl2N3O4S/c1-15(2)31-22-13-18(27(25-22)14-16-8-9-17(23)12-20(16)24)10-11-21(28)26-32(29,30)19-6-4-3-5-7-19/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,26,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta expressed in COS-1 cells after 2 days by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50361355
PNG
(CHEMBL1933821)
Show SMILES CCCCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H27Cl2N3O4S/c1-4-5-10-30(27,28)24-19(26)9-8-17-12-20(29-14(2)3)23-25(17)13-15-6-7-16(21)11-18(15)22/h6-7,11-12,14H,4-5,8-10,13H2,1-3H3,(H,24,26)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta expressed in COS-1 cells after 2 days by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50361346
PNG
(CHEMBL1933833)
Show SMILES CCCCCS(=O)(=O)NC(=O)CCc1cc(nn1Cc1ccc(Cl)cc1Cl)C(C)C
Show InChI InChI=1S/C21H29Cl2N3O3S/c1-4-5-6-11-30(28,29)25-21(27)10-9-18-13-20(15(2)3)24-26(18)14-16-7-8-17(22)12-19(16)23/h7-8,12-13,15H,4-6,9-11,14H2,1-3H3,(H,25,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in COS-1 cells after 1 day by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50361349
PNG
(CHEMBL1933830)
Show SMILES CCCCCS(=O)(=O)NC(=O)CCc1cc(OCCOC)nn1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H29Cl2N3O5S/c1-3-4-5-12-32(28,29)25-20(27)9-8-18-14-21(31-11-10-30-2)24-26(18)15-16-6-7-17(22)13-19(16)23/h6-7,13-14H,3-5,8-12,15H2,1-2H3,(H,25,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in COS-1 cells after 1 day by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50361340
PNG
(CHEMBL1933822)
Show SMILES CCCCCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C22H29ClF3N3O4S/c1-4-5-6-11-34(31,32)28-20(30)10-9-18-13-21(33-15(2)3)27-29(18)14-16-7-8-17(12-19(16)23)22(24,25)26/h7-8,12-13,15H,4-6,9-11,14H2,1-3H3,(H,28,30)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in COS-1 cells after 1 day by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50361338
PNG
(CHEMBL1933842)
Show SMILES CC(C)CCS(=O)(=O)NC(=O)\C=C\c1cc(OC(C)C)nn1Cc1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C22H27ClF3N3O4S/c1-14(2)9-10-34(31,32)28-20(30)8-7-18-12-21(33-15(3)4)27-29(18)13-16-5-6-17(11-19(16)23)22(24,25)26/h5-8,11-12,14-15H,9-10,13H2,1-4H3,(H,28,30)/b8-7+
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n/an/an/an/a 8.30n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at full length human PPARgamma1 transfected in human CHOK1 cells co expressing RXRalpha and PPRE after 1 day by luciferase reporter ...


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50361344
PNG
(CHEMBL1933836)
Show SMILES CCCCCS(=O)(=O)NC(=O)CCc1cc(nn1Cc1ccc(Cl)cc1Cl)-c1ccccc1
Show InChI InChI=1S/C24H27Cl2N3O3S/c1-2-3-7-14-33(31,32)28-24(30)13-12-21-16-23(18-8-5-4-6-9-18)27-29(21)17-19-10-11-20(25)15-22(19)26/h4-6,8-11,15-16H,2-3,7,12-14,17H2,1H3,(H,28,30)
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n/an/an/an/a 11n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at full length human PPARgamma1 transfected in human CHOK1 cells co expressing RXRalpha and PPRE after 1 day by luciferase reporter ...


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50361350
PNG
(CHEMBL1933829)
Show SMILES CCCCCS(=O)(=O)NC(=O)CCc1cc(OCCCC)nn1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H31Cl2N3O4S/c1-3-5-7-13-32(29,30)26-21(28)11-10-19-15-22(31-12-6-4-2)25-27(19)16-17-8-9-18(23)14-20(17)24/h8-9,14-15H,3-7,10-13,16H2,1-2H3,(H,26,28)
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n/an/an/an/a 7.5n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at full length human PPARgamma1 transfected in human CHOK1 cells co expressing RXRalpha and PPRE after 1 day by luciferase reporter ...


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50361352
PNG
(CHEMBL1933826)
Show SMILES CC(C)Oc1cc(CCC(=O)NS(=O)(=O)C2CCCCC2)n(Cc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C22H29Cl2N3O4S/c1-15(2)31-22-13-18(27(25-22)14-16-8-9-17(23)12-20(16)24)10-11-21(28)26-32(29,30)19-6-4-3-5-7-19/h8-9,12-13,15,19H,3-7,10-11,14H2,1-2H3,(H,26,28)
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n/an/an/an/a 150n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at full length human PPARgamma1 transfected in human CHOK1 cells co expressing RXRalpha and PPRE after 1 day by luciferase reporter ...


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50361355
PNG
(CHEMBL1933821)
Show SMILES CCCCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H27Cl2N3O4S/c1-4-5-10-30(27,28)24-19(26)9-8-17-12-20(29-14(2)3)23-25(17)13-15-6-7-16(21)11-18(15)22/h6-7,11-12,14H,4-5,8-10,13H2,1-3H3,(H,24,26)
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n/an/an/an/a 40n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at full length human PPARgamma1 transfected in human CHOK1 cells co expressing RXRalpha and PPRE after 1 day by luciferase reporter ...


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50361341
PNG
(CHEMBL1933844)
Show SMILES CCCCCS(=O)(=O)NC(=O)\C=C\c1cc(nn1Cc1ccc(Cl)cc1Cl)C(C)C
Show InChI InChI=1S/C21H27Cl2N3O3S/c1-4-5-6-11-30(28,29)25-21(27)10-9-18-13-20(15(2)3)24-26(18)14-16-7-8-17(22)12-19(16)23/h7-10,12-13,15H,4-6,11,14H2,1-3H3,(H,25,27)/b10-9+
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta expressed in COS-1 cells after 2 days by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50361347
PNG
(CHEMBL1933832)
Show SMILES CCCCCS(=O)(=O)NC(=O)CCc1cc(OCc2ccccn2)nn1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H28Cl2N4O4S/c1-2-3-6-13-35(32,33)29-23(31)11-10-21-15-24(34-17-20-7-4-5-12-27-20)28-30(21)16-18-8-9-19(25)14-22(18)26/h4-5,7-9,12,14-15H,2-3,6,10-11,13,16-17H2,1H3,(H,29,31)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta expressed in COS-1 cells after 2 days by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50361344
PNG
(CHEMBL1933836)
Show SMILES CCCCCS(=O)(=O)NC(=O)CCc1cc(nn1Cc1ccc(Cl)cc1Cl)-c1ccccc1
Show InChI InChI=1S/C24H27Cl2N3O3S/c1-2-3-7-14-33(31,32)28-24(30)13-12-21-16-23(18-8-5-4-6-9-18)27-29(21)17-19-10-11-20(25)15-22(19)26/h4-6,8-11,15-16H,2-3,7,12-14,17H2,1H3,(H,28,30)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in COS-1 cells after 1 day by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50361350
PNG
(CHEMBL1933829)
Show SMILES CCCCCS(=O)(=O)NC(=O)CCc1cc(OCCCC)nn1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H31Cl2N3O4S/c1-3-5-7-13-32(29,30)26-21(28)11-10-19-15-22(31-12-6-4-2)25-27(19)16-17-8-9-18(23)14-20(17)24/h8-9,14-15H,3-7,10-13,16H2,1-2H3,(H,26,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in COS-1 cells after 1 day by luciferase reporter gene transactivation assay


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50361358
PNG
(CHEMBL1933846)
Show SMILES CC(C)Oc1cc(CCC(=O)NS(C)(=O)=O)n(Cc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C17H21Cl2N3O4S/c1-11(2)26-17-9-14(6-7-16(23)21-27(3,24)25)22(20-17)10-12-4-5-13(18)8-15(12)19/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,21,23)
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n/an/an/an/a 450n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at full length human PPARgamma1 transfected in human CHOK1 cells co expressing RXRalpha and PPRE after 1 day by luciferase reporter ...


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50361337
PNG
(CHEMBL1933845)
Show SMILES CCCCCS(=O)(=O)NC(=O)\C=C\c1cc(nn1Cc1ccc(cc1Cl)C(F)(F)F)C1CC1
Show InChI InChI=1S/C22H25ClF3N3O3S/c1-2-3-4-11-33(31,32)28-21(30)10-9-18-13-20(15-5-6-15)27-29(18)14-16-7-8-17(12-19(16)23)22(24,25)26/h7-10,12-13,15H,2-6,11,14H2,1H3,(H,28,30)/b10-9+
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n/an/an/an/a 12n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at full length human PPARgamma1 transfected in human CHOK1 cells co expressing RXRalpha and PPRE after 1 day by luciferase reporter ...


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%