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PubMed code 21074432

Compile data set for download or QSAR
Found 25 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 delta


(Homo sapiens (Human))		BDBM50332466
PNG
(2-(4-((2-(3-fluoro-4-(trifluoromethyl)phenyl)-4-me...)
Show SMILES Cc1nc(sc1C[Se]c1ccc(OCC(O)=O)c(C)c1)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C21H17F4NO3SSe/c1-11-7-14(4-6-17(11)29-9-19(27)28)31-10-18-12(2)26-20(30-18)13-3-5-15(16(22)8-13)21(23,24)25/h3-8H,9-10H2,1-2H3,(H,27,28)
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n/an/an/an/a 1n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR-delta expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 7239-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.103
BindingDB Entry DOI: 10.7270/Q2SN0975
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50332467
PNG
(2-(4-((2-(3-fluoro-4-(trifluoromethyl)phenyl)-4-me...)
Show SMILES CC(Oc1ccc([Se]Cc2sc(nc2C)-c2ccc(c(F)c2)C(F)(F)F)cc1C)C(O)=O
Show InChI InChI=1S/C22H19F4NO3SSe/c1-11-8-15(5-7-18(11)30-13(3)21(28)29)32-10-19-12(2)27-20(31-19)14-4-6-16(17(23)9-14)22(24,25)26/h4-9,13H,10H2,1-3H3,(H,28,29)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR-gamma expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 7239-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.103
BindingDB Entry DOI: 10.7270/Q2SN0975
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50332469
PNG
(2-(4-((2-(3-fluoro-4-(trifluoromethyl)phenyl)-4-me...)
Show SMILES Cc1nc(sc1C[Se]c1ccc(OC(C)(C)C(O)=O)c(C)c1)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C23H21F4NO3SSe/c1-12-9-15(6-8-18(12)31-22(3,4)21(29)30)33-11-19-13(2)28-20(32-19)14-5-7-16(17(24)10-14)23(25,26)27/h5-10H,11H2,1-4H3,(H,29,30)
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n/an/an/an/a 1.80n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR-delta expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 7239-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.103
BindingDB Entry DOI: 10.7270/Q2SN0975
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50332469
PNG
(2-(4-((2-(3-fluoro-4-(trifluoromethyl)phenyl)-4-me...)
Show SMILES Cc1nc(sc1C[Se]c1ccc(OC(C)(C)C(O)=O)c(C)c1)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C23H21F4NO3SSe/c1-12-9-15(6-8-18(12)31-22(3,4)21(29)30)33-11-19-13(2)28-20(32-19)14-5-7-16(17(24)10-14)23(25,26)27/h5-10H,11H2,1-4H3,(H,29,30)
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n/an/an/an/a 24.6n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR-alpha expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 7239-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.103
BindingDB Entry DOI: 10.7270/Q2SN0975
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50332464
PNG
(2-(2-methyl-4-((4-methyl-2-(4-(trifluoromethyl)phe...)
Show SMILES CCC(Oc1ccc([Se]Cc2sc(nc2C)-c2ccc(cc2)C(F)(F)F)cc1C)C(O)=O
Show InChI InChI=1S/C23H22F3NO3SSe/c1-4-18(22(28)29)30-19-10-9-17(11-13(19)2)32-12-20-14(3)27-21(31-20)15-5-7-16(8-6-15)23(24,25)26/h5-11,18H,4,12H2,1-3H3,(H,28,29)
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n/an/an/an/a 6.20n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR-delta expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 7239-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.103
BindingDB Entry DOI: 10.7270/Q2SN0975
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50332468
PNG
(2-(4-((2-(3-fluoro-4-(trifluoromethyl)phenyl)-4-me...)
Show SMILES CCC(Oc1ccc([Se]Cc2sc(nc2C)-c2ccc(c(F)c2)C(F)(F)F)cc1C)C(O)=O
Show InChI InChI=1S/C23H21F4NO3SSe/c1-4-18(22(29)30)31-19-8-6-15(9-12(19)2)33-11-20-13(3)28-21(32-20)14-5-7-16(17(24)10-14)23(25,26)27/h5-10,18H,4,11H2,1-3H3,(H,29,30)
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n/an/an/an/a 7n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR-delta expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 7239-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.103
BindingDB Entry DOI: 10.7270/Q2SN0975
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50332466
PNG
(2-(4-((2-(3-fluoro-4-(trifluoromethyl)phenyl)-4-me...)
Show SMILES Cc1nc(sc1C[Se]c1ccc(OCC(O)=O)c(C)c1)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C21H17F4NO3SSe/c1-11-7-14(4-6-17(11)29-9-19(27)28)31-10-18-12(2)26-20(30-18)13-3-5-15(16(22)8-13)21(23,24)25/h3-8H,9-10H2,1-2H3,(H,27,28)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR-gamma expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 7239-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.103
BindingDB Entry DOI: 10.7270/Q2SN0975
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50332468
PNG
(2-(4-((2-(3-fluoro-4-(trifluoromethyl)phenyl)-4-me...)
Show SMILES CCC(Oc1ccc([Se]Cc2sc(nc2C)-c2ccc(c(F)c2)C(F)(F)F)cc1C)C(O)=O
Show InChI InChI=1S/C23H21F4NO3SSe/c1-4-18(22(29)30)31-19-8-6-15(9-12(19)2)33-11-20-13(3)28-21(32-20)14-5-7-16(17(24)10-14)23(25,26)27/h5-10,18H,4,11H2,1-3H3,(H,29,30)
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n/an/an/an/a 271n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR-gamma expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 7239-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.103
BindingDB Entry DOI: 10.7270/Q2SN0975
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50332462
PNG
(2-(2-methyl-4-((4-methyl-2-(4-(trifluoromethyl)phe...)
Show SMILES Cc1nc(sc1C[Se]c1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO3SSe/c1-12-9-16(7-8-17(12)28-10-19(26)27)30-11-18-13(2)25-20(29-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR-gamma expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 7239-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.103
BindingDB Entry DOI: 10.7270/Q2SN0975
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50332462
PNG
(2-(2-methyl-4-((4-methyl-2-(4-(trifluoromethyl)phe...)
Show SMILES Cc1nc(sc1C[Se]c1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO3SSe/c1-12-9-16(7-8-17(12)28-10-19(26)27)30-11-18-13(2)25-20(29-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR-alpha expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 7239-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.103
BindingDB Entry DOI: 10.7270/Q2SN0975
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50332467
PNG
(2-(4-((2-(3-fluoro-4-(trifluoromethyl)phenyl)-4-me...)
Show SMILES CC(Oc1ccc([Se]Cc2sc(nc2C)-c2ccc(c(F)c2)C(F)(F)F)cc1C)C(O)=O
Show InChI InChI=1S/C22H19F4NO3SSe/c1-11-8-15(5-7-18(11)30-13(3)21(28)29)32-10-19-12(2)27-20(31-19)14-4-6-16(17(23)9-14)22(24,25)26/h4-9,13H,10H2,1-3H3,(H,28,29)
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n/an/an/an/a 39.4n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR-alpha expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 7239-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.103
BindingDB Entry DOI: 10.7270/Q2SN0975
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50332465
PNG
(2-methyl-2-(2-methyl-4-((4-methyl-2-(4-(trifluorom...)
Show SMILES Cc1nc(sc1C[Se]c1ccc(OC(C)(C)C(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H22F3NO3SSe/c1-13-11-17(9-10-18(13)30-22(3,4)21(28)29)32-12-19-14(2)27-20(31-19)15-5-7-16(8-6-15)23(24,25)26/h5-11H,12H2,1-4H3,(H,28,29)
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n/an/an/an/a 4.5n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR-delta expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 7239-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.103
BindingDB Entry DOI: 10.7270/Q2SN0975
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50332463
PNG
(2-(2-methyl-4-((4-methyl-2-(4-(trifluoromethyl)phe...)
Show SMILES CC(Oc1ccc([Se]Cc2sc(nc2C)-c2ccc(cc2)C(F)(F)F)cc1C)C(O)=O
Show InChI InChI=1S/C22H20F3NO3SSe/c1-12-10-17(8-9-18(12)29-14(3)21(27)28)31-11-19-13(2)26-20(30-19)15-4-6-16(7-5-15)22(23,24)25/h4-10,14H,11H2,1-3H3,(H,27,28)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR-gamma expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 7239-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.103
BindingDB Entry DOI: 10.7270/Q2SN0975
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50332465
PNG
(2-methyl-2-(2-methyl-4-((4-methyl-2-(4-(trifluorom...)
Show SMILES Cc1nc(sc1C[Se]c1ccc(OC(C)(C)C(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H22F3NO3SSe/c1-13-11-17(9-10-18(13)30-22(3,4)21(28)29)32-12-19-14(2)27-20(31-19)15-5-7-16(8-6-15)23(24,25)26/h5-11H,12H2,1-4H3,(H,28,29)
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n/an/an/an/a 100n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR-gamma expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 7239-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.103
BindingDB Entry DOI: 10.7270/Q2SN0975
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)		BDBM50332462
PNG
(2-(2-methyl-4-((4-methyl-2-(4-(trifluoromethyl)phe...)
Show SMILES Cc1nc(sc1C[Se]c1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO3SSe/c1-12-9-16(7-8-17(12)28-10-19(26)27)30-11-18-13(2)25-20(29-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
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n/an/an/an/a 2.30n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPAR-delta expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 7239-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.103
BindingDB Entry DOI: 10.7270/Q2SN0975
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50332463
PNG
(2-(2-methyl-4-((4-methyl-2-(4-(trifluoromethyl)phe...)
Show SMILES CC(Oc1ccc([Se]Cc2sc(nc2C)-c2ccc(cc2)C(F)(F)F)cc1C)C(O)=O
Show InChI InChI=1S/C22H20F3NO3SSe/c1-12-10-17(8-9-18(12)29-14(3)21(27)28)31-11-19-13(2)26-20(30-19)15-4-6-16(7-5-15)22(23,24)25/h4-10,14H,11H2,1-3H3,(H,27,28)
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n/an/an/an/a 120n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR-alpha expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 7239-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.103
BindingDB Entry DOI: 10.7270/Q2SN0975
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50332465
PNG
(2-methyl-2-(2-methyl-4-((4-methyl-2-(4-(trifluorom...)
Show SMILES Cc1nc(sc1C[Se]c1ccc(OC(C)(C)C(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H22F3NO3SSe/c1-13-11-17(9-10-18(13)30-22(3,4)21(28)29)32-12-19-14(2)27-20(31-19)15-5-7-16(8-6-15)23(24,25)26/h5-11H,12H2,1-4H3,(H,28,29)
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n/an/an/an/a 15.2n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR-alpha expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 7239-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.103
BindingDB Entry DOI: 10.7270/Q2SN0975
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50332463
PNG
(2-(2-methyl-4-((4-methyl-2-(4-(trifluoromethyl)phe...)
Show SMILES CC(Oc1ccc([Se]Cc2sc(nc2C)-c2ccc(cc2)C(F)(F)F)cc1C)C(O)=O
Show InChI InChI=1S/C22H20F3NO3SSe/c1-12-10-17(8-9-18(12)29-14(3)21(27)28)31-11-19-13(2)26-20(30-19)15-4-6-16(7-5-15)22(23,24)25/h4-10,14H,11H2,1-3H3,(H,27,28)
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n/an/an/an/a 11n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR-delta expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 7239-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.103
BindingDB Entry DOI: 10.7270/Q2SN0975
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50332467
PNG
(2-(4-((2-(3-fluoro-4-(trifluoromethyl)phenyl)-4-me...)
Show SMILES CC(Oc1ccc([Se]Cc2sc(nc2C)-c2ccc(c(F)c2)C(F)(F)F)cc1C)C(O)=O
Show InChI InChI=1S/C22H19F4NO3SSe/c1-11-8-15(5-7-18(11)30-13(3)21(28)29)32-10-19-12(2)27-20(31-19)14-4-6-16(17(23)9-14)22(24,25)26/h4-9,13H,10H2,1-3H3,(H,28,29)
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n/an/an/an/a 8.5n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR-delta expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 7239-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.103
BindingDB Entry DOI: 10.7270/Q2SN0975
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50332464
PNG
(2-(2-methyl-4-((4-methyl-2-(4-(trifluoromethyl)phe...)
Show SMILES CCC(Oc1ccc([Se]Cc2sc(nc2C)-c2ccc(cc2)C(F)(F)F)cc1C)C(O)=O
Show InChI InChI=1S/C23H22F3NO3SSe/c1-4-18(22(28)29)30-19-10-9-17(11-13(19)2)32-12-20-14(3)27-21(31-20)15-5-7-16(8-6-15)23(24,25)26/h5-11,18H,4,12H2,1-3H3,(H,28,29)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR-gamma expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 7239-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.103
BindingDB Entry DOI: 10.7270/Q2SN0975
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50332469
PNG
(2-(4-((2-(3-fluoro-4-(trifluoromethyl)phenyl)-4-me...)
Show SMILES Cc1nc(sc1C[Se]c1ccc(OC(C)(C)C(O)=O)c(C)c1)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C23H21F4NO3SSe/c1-12-9-15(6-8-18(12)31-22(3,4)21(29)30)33-11-19-13(2)28-20(32-19)14-5-7-16(17(24)10-14)23(25,26)27/h5-10H,11H2,1-4H3,(H,29,30)
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n/an/an/an/a 290n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR-gamma expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 7239-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.103
BindingDB Entry DOI: 10.7270/Q2SN0975
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50332464
PNG
(2-(2-methyl-4-((4-methyl-2-(4-(trifluoromethyl)phe...)
Show SMILES CCC(Oc1ccc([Se]Cc2sc(nc2C)-c2ccc(cc2)C(F)(F)F)cc1C)C(O)=O
Show InChI InChI=1S/C23H22F3NO3SSe/c1-4-18(22(28)29)30-19-10-9-17(11-13(19)2)32-12-20-14(3)27-21(31-20)15-5-7-16(8-6-15)23(24,25)26/h5-11,18H,4,12H2,1-3H3,(H,28,29)
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n/an/an/an/a 83.1n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR-alpha expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 7239-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.103
BindingDB Entry DOI: 10.7270/Q2SN0975
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50332468
PNG
(2-(4-((2-(3-fluoro-4-(trifluoromethyl)phenyl)-4-me...)
Show SMILES CCC(Oc1ccc([Se]Cc2sc(nc2C)-c2ccc(c(F)c2)C(F)(F)F)cc1C)C(O)=O
Show InChI InChI=1S/C23H21F4NO3SSe/c1-4-18(22(29)30)31-19-8-6-15(9-12(19)2)33-11-20-13(3)28-21(32-20)14-5-7-16(17(24)10-14)23(25,26)27/h5-10,18H,4,11H2,1-3H3,(H,29,30)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR-alpha expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 7239-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.103
BindingDB Entry DOI: 10.7270/Q2SN0975
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50332462
PNG
(2-(2-methyl-4-((4-methyl-2-(4-(trifluoromethyl)phe...)
Show SMILES Cc1nc(sc1C[Se]c1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO3SSe/c1-12-9-16(7-8-17(12)28-10-19(26)27)30-11-18-13(2)25-20(29-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
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n/an/an/an/a 0.900n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR-delta expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 7239-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.103
BindingDB Entry DOI: 10.7270/Q2SN0975
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50332466
PNG
(2-(4-((2-(3-fluoro-4-(trifluoromethyl)phenyl)-4-me...)
Show SMILES Cc1nc(sc1C[Se]c1ccc(OCC(O)=O)c(C)c1)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C21H17F4NO3SSe/c1-11-7-14(4-6-17(11)29-9-19(27)28)31-10-18-12(2)26-20(30-18)13-3-5-15(16(22)8-13)21(23,24)25/h3-8H,9-10H2,1-2H3,(H,27,28)
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n/an/an/an/a 350n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR-alpha expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 7239-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.103
BindingDB Entry DOI: 10.7270/Q2SN0975
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%