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Compile Data Set for Download or QSAR

Found 259 hits with Last Name = 'kasuga' and Initial = 'j'   
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))
BDBM50311792
PNG
(4'-butoxy-3'-((2-fluoro-4-(trifluoromethyl)benzami...)
Show SMILES CCCCOc1ccc(cc1CNC(=O)c1ccc(cc1F)C(F)(F)F)-c1ccc(cc1C)C(O)=O
Show InChI InChI=1S/C27H25F4NO4/c1-3-4-11-36-24-10-6-17(21-8-5-18(26(34)35)12-16(21)2)13-19(24)15-32-25(33)22-9-7-20(14-23(22)28)27(29,30)31/h5-10,12-14H,3-4,11,15H2,1-2H3,(H,32,33)(H,34,35)
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n/an/a 10n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at PPARdelta cotransfected with GAL4-PPAR fusion protein assessed as inhibition of GW501516-induced response by luciferase report...


Bioorg Med Chem Lett 19: 6595-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.021
BindingDB Entry DOI: 10.7270/Q2736R23
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50311792
PNG
(4'-butoxy-3'-((2-fluoro-4-(trifluoromethyl)benzami...)
Show SMILES CCCCOc1ccc(cc1CNC(=O)c1ccc(cc1F)C(F)(F)F)-c1ccc(cc1C)C(O)=O
Show InChI InChI=1S/C27H25F4NO4/c1-3-4-11-36-24-10-6-17(21-8-5-18(26(34)35)12-16(21)2)13-19(24)15-32-25(33)22-9-7-20(14-23(22)28)27(29,30)31/h5-10,12-14H,3-4,11,15H2,1-2H3,(H,32,33)(H,34,35)
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n/an/a 10n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at PPARgamma cotransfected with GAL4-PPAR fusion protein assessed as inhibition of TIPP703-induced response by luciferase reporte...


Bioorg Med Chem Lett 19: 6595-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.021
BindingDB Entry DOI: 10.7270/Q2736R23
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50311792
PNG
(4'-butoxy-3'-((2-fluoro-4-(trifluoromethyl)benzami...)
Show SMILES CCCCOc1ccc(cc1CNC(=O)c1ccc(cc1F)C(F)(F)F)-c1ccc(cc1C)C(O)=O
Show InChI InChI=1S/C27H25F4NO4/c1-3-4-11-36-24-10-6-17(21-8-5-18(26(34)35)12-16(21)2)13-19(24)15-32-25(33)22-9-7-20(14-23(22)28)27(29,30)31/h5-10,12-14H,3-4,11,15H2,1-2H3,(H,32,33)(H,34,35)
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n/an/a 10n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at PPARalpha cotransfected with GAL4-PPAR fusion protein assessed as inhibition of TIPP703-induced response by luciferase reporte...


Bioorg Med Chem Lett 19: 6595-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.021
BindingDB Entry DOI: 10.7270/Q2736R23
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50311791
PNG
(4'-butoxy-3'-((2-fluoro-4-(trifluoromethyl)benzami...)
Show SMILES CCCCOc1ccc(cc1CNC(=O)c1ccc(cc1F)C(F)(F)F)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H23F4NO4/c1-2-3-12-35-23-11-8-18(16-4-6-17(7-5-16)25(33)34)13-19(23)15-31-24(32)21-10-9-20(14-22(21)27)26(28,29)30/h4-11,13-14H,2-3,12,15H2,1H3,(H,31,32)(H,33,34)
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n/an/a 68n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at PPARdelta cotransfected with GAL4-PPAR fusion protein assessed as inhibition of GW501516-induced response by luciferase report...


Bioorg Med Chem Lett 19: 6595-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.021
BindingDB Entry DOI: 10.7270/Q2736R23
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50176604
PNG
(2-(3-((2-fluoro-4-(trifluoromethyl)benzyl)carbamoy...)
Show SMILES CCC(Cc1ccc(OC)c(c1)C(=O)NCc1ccc(cc1F)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C21H21F4NO4/c1-3-13(20(28)29)8-12-4-7-18(30-2)16(9-12)19(27)26-11-14-5-6-15(10-17(14)22)21(23,24)25/h4-7,9-10,13H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)
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n/an/an/an/a 500n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma transfected in HEK293 cells


Bioorg Med Chem Lett 16: 554-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.049
BindingDB Entry DOI: 10.7270/Q2DF6QS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50176605
PNG
((S)-2-(3-((3-fluoro-4-(trifluoromethyl)benzamido)m...)
Show SMILES CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(c(F)c2)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C21H21F4NO4/c1-3-13(20(28)29)8-12-4-7-18(30-2)15(9-12)11-26-19(27)14-5-6-16(17(22)10-14)21(23,24)25/h4-7,9-10,13H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)/t13-/m0/s1
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n/an/an/an/a 130n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARdelta transfected in HEK293 cells


Bioorg Med Chem Lett 16: 554-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.049
BindingDB Entry DOI: 10.7270/Q2DF6QS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50107546
PNG
(2-(3-((4-(trifluoromethyl)benzyl)carbamoyl)-4-meth...)
Show SMILES CCC(Cc1ccc(OC)c(c1)C(=O)NCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C21H22F3NO4/c1-3-15(20(27)28)10-14-6-9-18(29-2)17(11-14)19(26)25-12-13-4-7-16(8-5-13)21(22,23)24/h4-9,11,15H,3,10,12H2,1-2H3,(H,25,26)(H,27,28)
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n/an/an/an/a 70n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha transfected in HEK293 cells


Bioorg Med Chem Lett 16: 554-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.049
BindingDB Entry DOI: 10.7270/Q2DF6QS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50176606
PNG
(2-(3-((3-fluoro-4-(trifluoromethyl)benzyl)carbamoy...)
Show SMILES CCC(Cc1ccc(OC)c(c1)C(=O)NCc1ccc(c(F)c1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C21H21F4NO4/c1-3-14(20(28)29)8-12-5-7-18(30-2)15(9-12)19(27)26-11-13-4-6-16(17(22)10-13)21(23,24)25/h4-7,9-10,14H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)
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n/an/an/an/a 1.60E+3n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma transfected in HEK293 cells


Bioorg Med Chem Lett 16: 554-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.049
BindingDB Entry DOI: 10.7270/Q2DF6QS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50176605
PNG
((S)-2-(3-((3-fluoro-4-(trifluoromethyl)benzamido)m...)
Show SMILES CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(c(F)c2)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C21H21F4NO4/c1-3-13(20(28)29)8-12-4-7-18(30-2)15(9-12)11-26-19(27)14-5-6-16(17(22)10-14)21(23,24)25/h4-7,9-10,13H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)/t13-/m0/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARalpha transfected in HEK293 cells


Bioorg Med Chem Lett 16: 554-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.049
BindingDB Entry DOI: 10.7270/Q2DF6QS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50176607
PNG
(2-(3-((4-fluoro-3-(trifluoromethyl)benzamido)methy...)
Show SMILES CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(F)c(c2)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C21H21F4NO4/c1-3-13(20(28)29)8-12-4-7-18(30-2)15(9-12)11-26-19(27)14-5-6-17(22)16(10-14)21(23,24)25/h4-7,9-10,13H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma transfected in HEK293 cells


Bioorg Med Chem Lett 16: 554-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.049
BindingDB Entry DOI: 10.7270/Q2DF6QS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50176608
PNG
((2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]c...)
Show SMILES CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(cc2F)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C21H21F4NO4/c1-3-13(20(28)29)8-12-4-7-18(30-2)14(9-12)11-26-19(27)16-6-5-15(10-17(16)22)21(23,24)25/h4-7,9-10,13H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)/t13-/m0/s1
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n/an/an/an/a 1.90E+3n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma transfected in HEK293 cells


Bioorg Med Chem Lett 16: 554-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.049
BindingDB Entry DOI: 10.7270/Q2DF6QS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50131739
PNG
((+/-)-2-(4-methoxy-3-((4-(trifluoromethyl)benzamid...)
Show SMILES CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(cc2)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C21H22F3NO4/c1-3-14(20(27)28)10-13-4-9-18(29-2)16(11-13)12-25-19(26)15-5-7-17(8-6-15)21(22,23)24/h4-9,11,14H,3,10,12H2,1-2H3,(H,25,26)(H,27,28)
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n/an/an/an/a 2.00E+3n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma transfected in HEK293 cells


Bioorg Med Chem Lett 16: 554-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.049
BindingDB Entry DOI: 10.7270/Q2DF6QS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50176605
PNG
((S)-2-(3-((3-fluoro-4-(trifluoromethyl)benzamido)m...)
Show SMILES CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(c(F)c2)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C21H21F4NO4/c1-3-13(20(28)29)8-12-4-7-18(30-2)15(9-12)11-26-19(27)14-5-6-16(17(22)10-14)21(23,24)25/h4-7,9-10,13H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)/t13-/m0/s1
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n/an/an/an/a 630n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha containing wild-type I272F domain transfected in HEK293 cells


Bioorg Med Chem Lett 16: 554-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.049
BindingDB Entry DOI: 10.7270/Q2DF6QS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50176605
PNG
((S)-2-(3-((3-fluoro-4-(trifluoromethyl)benzamido)m...)
Show SMILES CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(c(F)c2)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C21H21F4NO4/c1-3-13(20(28)29)8-12-4-7-18(30-2)15(9-12)11-26-19(27)14-5-6-16(17(22)10-14)21(23,24)25/h4-7,9-10,13H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)/t13-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha transfected in HEK293 cells


Bioorg Med Chem Lett 16: 554-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.049
BindingDB Entry DOI: 10.7270/Q2DF6QS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50176608
PNG
((2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]c...)
Show SMILES CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(cc2F)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C21H21F4NO4/c1-3-13(20(28)29)8-12-4-7-18(30-2)14(9-12)11-26-19(27)16-6-5-15(10-17(16)22)21(23,24)25/h4-7,9-10,13H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)/t13-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha transfected in HEK293 cells


Bioorg Med Chem Lett 16: 554-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.049
BindingDB Entry DOI: 10.7270/Q2DF6QS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50176607
PNG
(2-(3-((4-fluoro-3-(trifluoromethyl)benzamido)methy...)
Show SMILES CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(F)c(c2)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C21H21F4NO4/c1-3-13(20(28)29)8-12-4-7-18(30-2)15(9-12)11-26-19(27)14-5-6-17(22)16(10-14)21(23,24)25/h4-7,9-10,13H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)
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n/an/an/an/a 250n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha transfected in HEK293 cells


Bioorg Med Chem Lett 16: 554-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.049
BindingDB Entry DOI: 10.7270/Q2DF6QS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50131739
PNG
((+/-)-2-(4-methoxy-3-((4-(trifluoromethyl)benzamid...)
Show SMILES CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(cc2)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C21H22F3NO4/c1-3-14(20(27)28)10-13-4-9-18(29-2)16(11-13)12-25-19(26)15-5-7-17(8-6-15)21(22,23)24/h4-9,11,14H,3,10,12H2,1-2H3,(H,25,26)(H,27,28)
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n/an/an/an/a 130n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta transfected in HEK293 cells


Bioorg Med Chem Lett 16: 554-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.049
BindingDB Entry DOI: 10.7270/Q2DF6QS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50176606
PNG
(2-(3-((3-fluoro-4-(trifluoromethyl)benzyl)carbamoy...)
Show SMILES CCC(Cc1ccc(OC)c(c1)C(=O)NCc1ccc(c(F)c1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C21H21F4NO4/c1-3-14(20(28)29)8-12-5-7-18(30-2)15(9-12)19(27)26-11-13-4-6-16(17(22)10-13)21(23,24)25/h4-7,9-10,14H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)
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n/an/an/an/a 25n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha transfected in HEK293 cells


Bioorg Med Chem Lett 16: 554-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.049
BindingDB Entry DOI: 10.7270/Q2DF6QS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50131739
PNG
((+/-)-2-(4-methoxy-3-((4-(trifluoromethyl)benzamid...)
Show SMILES CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(cc2)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C21H22F3NO4/c1-3-14(20(27)28)10-13-4-9-18(29-2)16(11-13)12-25-19(26)15-5-7-17(8-6-15)21(22,23)24/h4-9,11,14H,3,10,12H2,1-2H3,(H,25,26)(H,27,28)
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n/an/an/an/a 10n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha transfected in HEK293 cells


Bioorg Med Chem Lett 16: 554-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.049
BindingDB Entry DOI: 10.7270/Q2DF6QS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50176609
PNG
((R)-2-(3-((3-fluoro-4-(trifluoromethyl)benzamido)m...)
Show SMILES CC[C@H](Cc1ccc(OC)c(CNC(=O)c2ccc(c(F)c2)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C21H21F4NO4/c1-3-13(20(28)29)8-12-4-7-18(30-2)15(9-12)11-26-19(27)14-5-6-16(17(22)10-14)21(23,24)25/h4-7,9-10,13H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)/t13-/m1/s1
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n/an/an/an/a 700n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta transfected in HEK293 cells


Bioorg Med Chem Lett 16: 554-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.049
BindingDB Entry DOI: 10.7270/Q2DF6QS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50176609
PNG
((R)-2-(3-((3-fluoro-4-(trifluoromethyl)benzamido)m...)
Show SMILES CC[C@H](Cc1ccc(OC)c(CNC(=O)c2ccc(c(F)c2)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C21H21F4NO4/c1-3-13(20(28)29)8-12-4-7-18(30-2)15(9-12)11-26-19(27)14-5-6-16(17(22)10-14)21(23,24)25/h4-7,9-10,13H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)/t13-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma transfected in HEK293 cells


Bioorg Med Chem Lett 16: 554-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.049
BindingDB Entry DOI: 10.7270/Q2DF6QS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50176604
PNG
(2-(3-((2-fluoro-4-(trifluoromethyl)benzyl)carbamoy...)
Show SMILES CCC(Cc1ccc(OC)c(c1)C(=O)NCc1ccc(cc1F)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C21H21F4NO4/c1-3-13(20(28)29)8-12-4-7-18(30-2)16(9-12)19(27)26-11-14-5-6-15(10-17(14)22)21(23,24)25/h4-7,9-10,13H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)
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n/an/an/an/a 1.00E+3n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta transfected in HEK293 cells


Bioorg Med Chem Lett 16: 554-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.049
BindingDB Entry DOI: 10.7270/Q2DF6QS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50107546
PNG
(2-(3-((4-(trifluoromethyl)benzyl)carbamoyl)-4-meth...)
Show SMILES CCC(Cc1ccc(OC)c(c1)C(=O)NCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C21H22F3NO4/c1-3-15(20(27)28)10-14-6-9-18(29-2)17(11-14)19(26)25-12-13-4-7-16(8-5-13)21(22,23)24/h4-9,11,15H,3,10,12H2,1-2H3,(H,25,26)(H,27,28)
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n/an/an/an/a 700n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta transfected in HEK293 cells


Bioorg Med Chem Lett 16: 554-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.049
BindingDB Entry DOI: 10.7270/Q2DF6QS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50176609
PNG
((R)-2-(3-((3-fluoro-4-(trifluoromethyl)benzamido)m...)
Show SMILES CC[C@H](Cc1ccc(OC)c(CNC(=O)c2ccc(c(F)c2)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C21H21F4NO4/c1-3-13(20(28)29)8-12-4-7-18(30-2)15(9-12)11-26-19(27)14-5-6-16(17(22)10-14)21(23,24)25/h4-7,9-10,13H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)/t13-/m1/s1
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n/an/an/an/a 180n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha transfected in HEK293 cells


Bioorg Med Chem Lett 16: 554-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.049
BindingDB Entry DOI: 10.7270/Q2DF6QS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50176605
PNG
((S)-2-(3-((3-fluoro-4-(trifluoromethyl)benzamido)m...)
Show SMILES CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(c(F)c2)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C21H21F4NO4/c1-3-13(20(28)29)8-12-4-7-18(30-2)15(9-12)11-26-19(27)14-5-6-16(17(22)10-14)21(23,24)25/h4-7,9-10,13H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)/t13-/m0/s1
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n/an/an/an/a 4.90E+3n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma transfected in HEK293 cells


Bioorg Med Chem Lett 16: 554-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.049
BindingDB Entry DOI: 10.7270/Q2DF6QS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50176604
PNG
(2-(3-((2-fluoro-4-(trifluoromethyl)benzyl)carbamoy...)
Show SMILES CCC(Cc1ccc(OC)c(c1)C(=O)NCc1ccc(cc1F)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C21H21F4NO4/c1-3-13(20(28)29)8-12-4-7-18(30-2)16(9-12)19(27)26-11-14-5-6-15(10-17(14)22)21(23,24)25/h4-7,9-10,13H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)
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n/an/an/an/a 20n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha transfected in HEK293 cells


Bioorg Med Chem Lett 16: 554-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.049
BindingDB Entry DOI: 10.7270/Q2DF6QS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50176607
PNG
(2-(3-((4-fluoro-3-(trifluoromethyl)benzamido)methy...)
Show SMILES CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(F)c(c2)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C21H21F4NO4/c1-3-13(20(28)29)8-12-4-7-18(30-2)15(9-12)11-26-19(27)14-5-6-17(22)16(10-14)21(23,24)25/h4-7,9-10,13H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)
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n/an/an/an/a 2.00E+3n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta transfected in HEK293 cells


Bioorg Med Chem Lett 16: 554-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.049
BindingDB Entry DOI: 10.7270/Q2DF6QS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50107546
PNG
(2-(3-((4-(trifluoromethyl)benzyl)carbamoyl)-4-meth...)
Show SMILES CCC(Cc1ccc(OC)c(c1)C(=O)NCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C21H22F3NO4/c1-3-15(20(27)28)10-14-6-9-18(29-2)17(11-14)19(26)25-12-13-4-7-16(8-5-13)21(22,23)24/h4-9,11,15H,3,10,12H2,1-2H3,(H,25,26)(H,27,28)
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n/an/an/an/a 3.00E+3n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma transfected in HEK293 cells


Bioorg Med Chem Lett 16: 554-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.049
BindingDB Entry DOI: 10.7270/Q2DF6QS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50176608
PNG
((2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]c...)
Show SMILES CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(cc2F)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C21H21F4NO4/c1-3-13(20(28)29)8-12-4-7-18(30-2)14(9-12)11-26-19(27)16-6-5-15(10-17(16)22)21(23,24)25/h4-7,9-10,13H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)/t13-/m0/s1
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n/an/an/an/a 12n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta transfected in HEK293 cells


Bioorg Med Chem Lett 16: 554-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.049
BindingDB Entry DOI: 10.7270/Q2DF6QS3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50176605
PNG
((S)-2-(3-((3-fluoro-4-(trifluoromethyl)benzamido)m...)
Show SMILES CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(c(F)c2)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C21H21F4NO4/c1-3-13(20(28)29)8-12-4-7-18(30-2)15(9-12)11-26-19(27)14-5-6-16(17(22)10-14)21(23,24)25/h4-7,9-10,13H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)/t13-/m0/s1
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n/an/an/an/a 40n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta transfected in HEK293 cells


Bioorg Med Chem Lett 16: 554-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.049
BindingDB Entry DOI: 10.7270/Q2DF6QS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50176606
PNG
(2-(3-((3-fluoro-4-(trifluoromethyl)benzyl)carbamoy...)
Show SMILES CCC(Cc1ccc(OC)c(c1)C(=O)NCc1ccc(c(F)c1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C21H21F4NO4/c1-3-14(20(28)29)8-12-5-7-18(30-2)15(9-12)19(27)26-11-13-4-6-16(17(22)10-13)21(23,24)25/h4-7,9-10,14H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)
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n/an/an/an/a 500n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta transfected in HEK293 cells


Bioorg Med Chem Lett 16: 554-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.049
BindingDB Entry DOI: 10.7270/Q2DF6QS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50214197
PNG
(2-{4-methoxy-3-[(4-trifluoromethylbenzoylamino)-me...)
Show SMILES CCCC(Cc1ccc(OC)c(CNC(=O)c2ccc(cc2)C(F)(F)F)c1)C(O)=O |w:3.3|
Show InChI InChI=1S/C22H24F3NO4/c1-3-4-16(21(28)29)11-14-5-10-19(30-2)17(12-14)13-26-20(27)15-6-8-18(9-7-15)22(23,24)25/h5-10,12,16H,3-4,11,13H2,1-2H3,(H,26,27)(H,28,29)
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n/an/an/an/a 3.60E+3n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Effect on PPARgamma transactivation activity in HEK293 cells


Bioorg Med Chem 15: 5177-90 (2007)


Article DOI: 10.1016/j.bmc.2007.05.023
BindingDB Entry DOI: 10.7270/Q2QZ29P7
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50214195
PNG
(2-{3-[(2-fluoro-4-trifluoromethylbenzoylamino)-met...)
Show SMILES CCCOc1ccc(CC(CC)C(O)=O)cc1CNC(=O)c1ccc(cc1F)C(F)(F)F |w:9.8|
Show InChI InChI=1S/C23H25F4NO4/c1-3-9-32-20-8-5-14(10-15(4-2)22(30)31)11-16(20)13-28-21(29)18-7-6-17(12-19(18)24)23(25,26)27/h5-8,11-12,15H,3-4,9-10,13H2,1-2H3,(H,28,29)(H,30,31)
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n/an/an/an/a 650n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Effect on PPARgamma transactivation activity in HEK293 cells


Bioorg Med Chem 15: 5177-90 (2007)


Article DOI: 10.1016/j.bmc.2007.05.023
BindingDB Entry DOI: 10.7270/Q2QZ29P7
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50214196
PNG
(2-{4-benzyloxy-3-[(4-trifluoromethylbenzoylamino)m...)
Show SMILES CCC(Cc1ccc(OCc2ccccc2)c(CNC(=O)c2ccc(cc2)C(F)(F)F)c1)C(O)=O |w:2.2|
Show InChI InChI=1S/C27H26F3NO4/c1-2-20(26(33)34)14-19-8-13-24(35-17-18-6-4-3-5-7-18)22(15-19)16-31-25(32)21-9-11-23(12-10-21)27(28,29)30/h3-13,15,20H,2,14,16-17H2,1H3,(H,31,32)(H,33,34)
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n/an/an/an/a 6.20E+3n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Effect on PPARgamma transactivation activity in HEK293 cells


Bioorg Med Chem 15: 5177-90 (2007)


Article DOI: 10.1016/j.bmc.2007.05.023
BindingDB Entry DOI: 10.7270/Q2QZ29P7
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50214198
PNG
(2-{4-n-hexyloxy-3-[(4-trifluoromethylbenzoylamino)...)
Show SMILES CCCCCCOc1ccc(CC(CC)C(O)=O)cc1CNC(=O)c1ccc(cc1)C(F)(F)F |w:12.11|
Show InChI InChI=1S/C26H32F3NO4/c1-3-5-6-7-14-34-23-13-8-18(15-19(4-2)25(32)33)16-21(23)17-30-24(31)20-9-11-22(12-10-20)26(27,28)29/h8-13,16,19H,3-7,14-15,17H2,1-2H3,(H,30,31)(H,32,33)
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n/an/an/an/a 45n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Effect on PPARdelta transactivation activity in HEK293 cells


Bioorg Med Chem 15: 5177-90 (2007)


Article DOI: 10.1016/j.bmc.2007.05.023
BindingDB Entry DOI: 10.7270/Q2QZ29P7
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM28661
PNG
(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)
Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)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 1.80n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Effect on PPARdelta transactivation activity in HEK293 cells


Bioorg Med Chem 15: 5177-90 (2007)


Article DOI: 10.1016/j.bmc.2007.05.023
BindingDB Entry DOI: 10.7270/Q2QZ29P7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50214199
PNG
(2-{4-n-butoxy-3-[(2-fluoro-4-trifluoromethylbenzoy...)
Show SMILES CCCCC(Cc1ccc(OC)c(CNC(=O)c2ccc(cc2F)C(F)(F)F)c1)C(O)=O |w:4.4|
Show InChI InChI=1S/C23H25F4NO4/c1-3-4-5-15(22(30)31)10-14-6-9-20(32-2)16(11-14)13-28-21(29)18-8-7-17(12-19(18)24)23(25,26)27/h6-9,11-12,15H,3-5,10,13H2,1-2H3,(H,28,29)(H,30,31)
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n/an/an/an/a 1.00E+3n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Effect on PPARgamma transactivation activity in HEK293 cells


Bioorg Med Chem 15: 5177-90 (2007)


Article DOI: 10.1016/j.bmc.2007.05.023
BindingDB Entry DOI: 10.7270/Q2QZ29P7
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50214200
PNG
(2-(4-butoxy-3-((2-fluoro-4-(trifluoromethyl)benzam...)
Show SMILES CCCCOc1ccc(CC(CCC)C(O)=O)cc1CNC(=O)c1ccc(cc1F)C(F)(F)F |w:10.9|
Show InChI InChI=1S/C25H29F4NO4/c1-3-5-11-34-22-10-7-16(12-17(6-4-2)24(32)33)13-18(22)15-30-23(31)20-9-8-19(14-21(20)26)25(27,28)29/h7-10,13-14,17H,3-6,11-12,15H2,1-2H3,(H,30,31)(H,32,33)
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n/an/an/an/a 5.10n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Effect on PPARdelta transactivation activity in HEK293 cells


Bioorg Med Chem 15: 5177-90 (2007)


Article DOI: 10.1016/j.bmc.2007.05.023
BindingDB Entry DOI: 10.7270/Q2QZ29P7
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50214201
PNG
(2-{4-methoxy-3-[(4-trifluoromethylbenzoylamino)-me...)
Show SMILES CCCCC(Cc1ccc(OC)c(CNC(=O)c2ccc(cc2)C(F)(F)F)c1)C(O)=O |w:4.4|
Show InChI InChI=1S/C23H26F3NO4/c1-3-4-5-17(22(29)30)12-15-6-11-20(31-2)18(13-15)14-27-21(28)16-7-9-19(10-8-16)23(24,25)26/h6-11,13,17H,3-5,12,14H2,1-2H3,(H,27,28)(H,29,30)
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n/an/an/an/a 2.40E+3n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Effect on PPARgamma transactivation activity in HEK293 cells


Bioorg Med Chem 15: 5177-90 (2007)


Article DOI: 10.1016/j.bmc.2007.05.023
BindingDB Entry DOI: 10.7270/Q2QZ29P7
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50131739
PNG
((+/-)-2-(4-methoxy-3-((4-(trifluoromethyl)benzamid...)
Show SMILES CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(cc2)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C21H22F3NO4/c1-3-14(20(27)28)10-13-4-9-18(29-2)16(11-13)12-25-19(26)15-5-7-17(8-6-15)21(22,23)24/h4-9,11,14H,3,10,12H2,1-2H3,(H,25,26)(H,27,28)
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n/an/an/an/a 2.60E+3n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Effect on PPARgamma transactivation activity in HEK293 cells


Bioorg Med Chem 15: 5177-90 (2007)


Article DOI: 10.1016/j.bmc.2007.05.023
BindingDB Entry DOI: 10.7270/Q2QZ29P7
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50214201
PNG
(2-{4-methoxy-3-[(4-trifluoromethylbenzoylamino)-me...)
Show SMILES CCCCC(Cc1ccc(OC)c(CNC(=O)c2ccc(cc2)C(F)(F)F)c1)C(O)=O |w:4.4|
Show InChI InChI=1S/C23H26F3NO4/c1-3-4-5-17(22(29)30)12-15-6-11-20(31-2)18(13-15)14-27-21(28)16-7-9-19(10-8-16)23(24,25)26/h6-11,13,17H,3-5,12,14H2,1-2H3,(H,27,28)(H,29,30)
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n/an/an/an/a 230n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Effect on PPARalpha transactivation activity in HEK293 cells


Bioorg Med Chem 15: 5177-90 (2007)


Article DOI: 10.1016/j.bmc.2007.05.023
BindingDB Entry DOI: 10.7270/Q2QZ29P7
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50214202
PNG
(2-{4-n-butoxy-3-[(4-trifluoromethylbenzoylamino)me...)
Show SMILES CCCCOc1ccc(CC(CC)C(O)=O)cc1CNC(=O)c1ccc(cc1)C(F)(F)F |w:10.9|
Show InChI InChI=1S/C24H28F3NO4/c1-3-5-12-32-21-11-6-16(13-17(4-2)23(30)31)14-19(21)15-28-22(29)18-7-9-20(10-8-18)24(25,26)27/h6-11,14,17H,3-5,12-13,15H2,1-2H3,(H,28,29)(H,30,31)
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n/an/an/an/a 4.80n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Effect on PPARdelta transactivation activity in HEK293 cells


Bioorg Med Chem 15: 5177-90 (2007)


Article DOI: 10.1016/j.bmc.2007.05.023
BindingDB Entry DOI: 10.7270/Q2QZ29P7
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50214197
PNG
(2-{4-methoxy-3-[(4-trifluoromethylbenzoylamino)-me...)
Show SMILES CCCC(Cc1ccc(OC)c(CNC(=O)c2ccc(cc2)C(F)(F)F)c1)C(O)=O |w:3.3|
Show InChI InChI=1S/C22H24F3NO4/c1-3-4-16(21(28)29)11-14-5-10-19(30-2)17(12-14)13-26-20(27)15-6-8-18(9-7-15)22(23,24)25/h5-10,12,16H,3-4,11,13H2,1-2H3,(H,26,27)(H,28,29)
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n/an/an/an/a 120n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Effect on PPARdelta transactivation activity in HEK293 cells


Bioorg Med Chem 15: 5177-90 (2007)


Article DOI: 10.1016/j.bmc.2007.05.023
BindingDB Entry DOI: 10.7270/Q2QZ29P7
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50214204
PNG
(2-{4-methoxy-3-[(2-fluoro-4-trifluoromethylbenzoyl...)
Show SMILES CCCC(Cc1ccc(OC)c(CNC(=O)c2ccc(cc2F)C(F)(F)F)c1)C(O)=O |w:3.3|
Show InChI InChI=1S/C22H23F4NO4/c1-3-4-14(21(29)30)9-13-5-8-19(31-2)15(10-13)12-27-20(28)17-7-6-16(11-18(17)23)22(24,25)26/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,27,28)(H,29,30)
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n/an/an/an/a 40n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Effect on PPARdelta transactivation activity in HEK293 cells


Bioorg Med Chem 15: 5177-90 (2007)


Article DOI: 10.1016/j.bmc.2007.05.023
BindingDB Entry DOI: 10.7270/Q2QZ29P7
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50214201
PNG
(2-{4-methoxy-3-[(4-trifluoromethylbenzoylamino)-me...)
Show SMILES CCCCC(Cc1ccc(OC)c(CNC(=O)c2ccc(cc2)C(F)(F)F)c1)C(O)=O |w:4.4|
Show InChI InChI=1S/C23H26F3NO4/c1-3-4-5-17(22(29)30)12-15-6-11-20(31-2)18(13-15)14-27-21(28)16-7-9-19(10-8-16)23(24,25)26/h6-11,13,17H,3-5,12,14H2,1-2H3,(H,27,28)(H,29,30)
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n/an/an/an/a 700n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Effect on PPARdelta transactivation activity in HEK293 cells


Bioorg Med Chem 15: 5177-90 (2007)


Article DOI: 10.1016/j.bmc.2007.05.023
BindingDB Entry DOI: 10.7270/Q2QZ29P7
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50214203
PNG
((+/-)-2-(3-((2-fluoro-4-(trifluoromethyl)benzamido...)
Show SMILES CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(cc2F)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C21H21F4NO4/c1-3-13(20(28)29)8-12-4-7-18(30-2)14(9-12)11-26-19(27)16-6-5-15(10-17(16)22)21(23,24)25/h4-7,9-10,13H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)
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n/an/an/an/a 21n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Effect on PPARdelta transactivation activity in HEK293 cells


Bioorg Med Chem 15: 5177-90 (2007)


Article DOI: 10.1016/j.bmc.2007.05.023
BindingDB Entry DOI: 10.7270/Q2QZ29P7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50214204
PNG
(2-{4-methoxy-3-[(2-fluoro-4-trifluoromethylbenzoyl...)
Show SMILES CCCC(Cc1ccc(OC)c(CNC(=O)c2ccc(cc2F)C(F)(F)F)c1)C(O)=O |w:3.3|
Show InChI InChI=1S/C22H23F4NO4/c1-3-4-14(21(29)30)9-13-5-8-19(31-2)15(10-13)12-27-20(28)17-7-6-16(11-18(17)23)22(24,25)26/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,27,28)(H,29,30)
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n/an/an/an/a 29n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Effect on PPARalpha transactivation activity in HEK293 cells


Bioorg Med Chem 15: 5177-90 (2007)


Article DOI: 10.1016/j.bmc.2007.05.023
BindingDB Entry DOI: 10.7270/Q2QZ29P7
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50214195
PNG
(2-{3-[(2-fluoro-4-trifluoromethylbenzoylamino)-met...)
Show SMILES CCCOc1ccc(CC(CC)C(O)=O)cc1CNC(=O)c1ccc(cc1F)C(F)(F)F |w:9.8|
Show InChI InChI=1S/C23H25F4NO4/c1-3-9-32-20-8-5-14(10-15(4-2)22(30)31)11-16(20)13-28-21(29)18-7-6-17(12-19(18)24)23(25,26)27/h5-8,11-12,15H,3-4,9-10,13H2,1-2H3,(H,28,29)(H,30,31)
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n/an/an/an/a 41n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Effect on PPARalpha transactivation activity in HEK293 cells


Bioorg Med Chem 15: 5177-90 (2007)


Article DOI: 10.1016/j.bmc.2007.05.023
BindingDB Entry DOI: 10.7270/Q2QZ29P7
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50214195
PNG
(2-{3-[(2-fluoro-4-trifluoromethylbenzoylamino)-met...)
Show SMILES CCCOc1ccc(CC(CC)C(O)=O)cc1CNC(=O)c1ccc(cc1F)C(F)(F)F |w:9.8|
Show InChI InChI=1S/C23H25F4NO4/c1-3-9-32-20-8-5-14(10-15(4-2)22(30)31)11-16(20)13-28-21(29)18-7-6-17(12-19(18)24)23(25,26)27/h5-8,11-12,15H,3-4,9-10,13H2,1-2H3,(H,28,29)(H,30,31)
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n/an/an/an/a 1.70n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Effect on PPARdelta transactivation activity in HEK293 cells


Bioorg Med Chem 15: 5177-90 (2007)


Article DOI: 10.1016/j.bmc.2007.05.023
BindingDB Entry DOI: 10.7270/Q2QZ29P7
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50214205
PNG
(2-(4-butoxy-3-((2-fluoro-4-(trifluoromethyl)benzam...)
Show SMILES CCCCOc1ccc(CC(CC)C(O)=O)cc1CNC(=O)c1ccc(cc1F)C(F)(F)F |w:10.9|
Show InChI InChI=1S/C24H27F4NO4/c1-3-5-10-33-21-9-6-15(11-16(4-2)23(31)32)12-17(21)14-29-22(30)19-8-7-18(13-20(19)25)24(26,27)28/h6-9,12-13,16H,3-5,10-11,14H2,1-2H3,(H,29,30)(H,31,32)
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n/an/an/an/a 280n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Effect on PPARalpha transactivation activity in HEK293 cells


Bioorg Med Chem 15: 5177-90 (2007)


Article DOI: 10.1016/j.bmc.2007.05.023
BindingDB Entry DOI: 10.7270/Q2QZ29P7
More data for this
Ligand-Target Pair
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