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Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with all data for entry = 50017031   
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))
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


(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 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


(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