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Compile Data Set for Download or QSAR

Found 310 hits with Last Name = 'faucher' and Initial = 'n'   
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
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50043280
PNG
(4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidaz...)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C
Show InChI InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)
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n/an/a 3n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of AT1 receptor


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50306508
PNG
(4'-((2,3-dimethyl-5-(1-phenylpropylcarbamoyl)-1H-i...)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1
Show InChI InChI=1S/C34H32N2O3/c1-4-31(26-10-6-5-7-11-26)35-33(37)27-18-19-32-30(20-27)22(2)23(3)36(32)21-24-14-16-25(17-15-24)28-12-8-9-13-29(28)34(38)39/h5-20,31H,4,21H2,1-3H3,(H,35,37)(H,38,39)
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n/an/a 8n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled ((5-{4-[Methyl-pyridin-2yl-amino)-ethoxy]-benzyl}-thiazolidine-2,4-dione) from human PPARgamma ligand binding domain expr...


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50306513
PNG
(4'-((2-methyl-3-(methylthio)-5-(1-phenylpropylcarb...)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(SC)c2c1)c1ccccc1
Show InChI InChI=1S/C34H32N2O3S/c1-4-30(25-10-6-5-7-11-25)35-33(37)26-18-19-31-29(20-26)32(40-3)22(2)36(31)21-23-14-16-24(17-15-23)27-12-8-9-13-28(27)34(38)39/h5-20,30H,4,21H2,1-3H3,(H,35,37)(H,38,39)
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n/an/a 12n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled ((5-{4-[Methyl-pyridin-2yl-amino)-ethoxy]-benzyl}-thiazolidine-2,4-dione) from human PPARgamma ligand binding domain expr...


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50306516
PNG
(4'-((2-methyl-5-(1-phenylpropylcarbamoyl)-1H-indol...)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)cc2c1)c1ccccc1
Show InChI InChI=1S/C33H30N2O3/c1-3-30(25-9-5-4-6-10-25)34-32(36)26-17-18-31-27(20-26)19-22(2)35(31)21-23-13-15-24(16-14-23)28-11-7-8-12-29(28)33(37)38/h4-20,30H,3,21H2,1-2H3,(H,34,36)(H,37,38)
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n/an/a 18n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled ((5-{4-[Methyl-pyridin-2yl-amino)-ethoxy]-benzyl}-thiazolidine-2,4-dione) from human PPARgamma ligand binding domain expr...


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50306514
PNG
(4'-((2,3-dimethyl-5-(3-phenylpropylcarbamoyl)-1H-i...)
Show SMILES Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C34H32N2O3/c1-23-24(2)36(22-26-14-16-27(17-15-26)29-12-6-7-13-30(29)34(38)39)32-19-18-28(21-31(23)32)33(37)35-20-8-11-25-9-4-3-5-10-25/h3-7,9-10,12-19,21H,8,11,20,22H2,1-2H3,(H,35,37)(H,38,39)
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n/an/a 18n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled ((5-{4-[Methyl-pyridin-2yl-amino)-ethoxy]-benzyl}-thiazolidine-2,4-dione) from human PPARgamma ligand binding domain expr...


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50306509
PNG
(4'-((3-(methylthio)-5-(2-phenylbutanamido)-2-propy...)
Show SMILES CCCc1c(SC)c2cc(NC(=O)C(CC)c3ccccc3)ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C36H36N2O3S/c1-4-11-33-34(42-3)31-22-27(37-35(39)28(5-2)25-12-7-6-8-13-25)20-21-32(31)38(33)23-24-16-18-26(19-17-24)29-14-9-10-15-30(29)36(40)41/h6-10,12-22,28H,4-5,11,23H2,1-3H3,(H,37,39)(H,40,41)
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n/an/a 36n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled ((5-{4-[Methyl-pyridin-2yl-amino)-ethoxy]-benzyl}-thiazolidine-2,4-dione) from human PPARgamma ligand binding domain expr...


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50306515
PNG
(4'-((5-(benzylcarbamoyl)-2,3-dimethyl-1H-indol-1-y...)
Show SMILES Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C32H28N2O3/c1-21-22(2)34(20-24-12-14-25(15-13-24)27-10-6-7-11-28(27)32(36)37)30-17-16-26(18-29(21)30)31(35)33-19-23-8-4-3-5-9-23/h3-18H,19-20H2,1-2H3,(H,33,35)(H,36,37)
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n/an/a 41n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled ((5-{4-[Methyl-pyridin-2yl-amino)-ethoxy]-benzyl}-thiazolidine-2,4-dione) from human PPARgamma ligand binding domain expr...


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50306510
PNG
(4'-((5-(2-phenylbutanamido)-2-propyl-1H-indol-1-yl...)
Show SMILES CCCc1cc2cc(NC(=O)C(CC)c3ccccc3)ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C35H34N2O3/c1-3-10-29-22-27-21-28(36-34(38)30(4-2)25-11-6-5-7-12-25)19-20-33(27)37(29)23-24-15-17-26(18-16-24)31-13-8-9-14-32(31)35(39)40/h5-9,11-22,30H,3-4,10,23H2,1-2H3,(H,36,38)(H,39,40)
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n/an/a 260n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled ((5-{4-[Methyl-pyridin-2yl-amino)-ethoxy]-benzyl}-thiazolidine-2,4-dione) from human PPARgamma ligand binding domain expr...


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50306517
PNG
(4'-((2-methyl-6-(1-phenylpropylcarbamoyl)-1H-indol...)
Show SMILES CCC(NC(=O)c1ccc2cc(C)n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c2c1)c1ccccc1
Show InChI InChI=1S/C33H30N2O3/c1-3-30(25-9-5-4-6-10-25)34-32(36)27-18-17-26-19-22(2)35(31(26)20-27)21-23-13-15-24(16-14-23)28-11-7-8-12-29(28)33(37)38/h4-20,30H,3,21H2,1-2H3,(H,34,36)(H,37,38)
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n/an/a 321n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled ((5-{4-[Methyl-pyridin-2yl-amino)-ethoxy]-benzyl}-thiazolidine-2,4-dione) from human PPARgamma ligand binding domain expr...


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50306511
PNG
(4'-((3-(methylthio)-6-(2-phenylbutanamido)-2-propy...)
Show SMILES CCCc1c(SC)c2ccc(NC(=O)C(CC)c3ccccc3)cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C36H36N2O3S/c1-4-11-32-34(42-3)31-21-20-27(37-35(39)28(5-2)25-12-7-6-8-13-25)22-33(31)38(32)23-24-16-18-26(19-17-24)29-14-9-10-15-30(29)36(40)41/h6-10,12-22,28H,4-5,11,23H2,1-3H3,(H,37,39)(H,40,41)
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n/an/a 490n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled ((5-{4-[Methyl-pyridin-2yl-amino)-ethoxy]-benzyl}-thiazolidine-2,4-dione) from human PPARgamma ligand binding domain expr...


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50306512
PNG
(4'-((2,3-dimethyl-5-(2-phenylbutanamido)-1H-indol-...)
Show SMILES CCC(C(=O)Nc1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1
Show InChI InChI=1S/C34H32N2O3/c1-4-28(25-10-6-5-7-11-25)33(37)35-27-18-19-32-31(20-27)22(2)23(3)36(32)21-24-14-16-26(17-15-24)29-12-8-9-13-30(29)34(38)39/h5-20,28H,4,21H2,1-3H3,(H,35,37)(H,38,39)
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n/an/a 574n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled ((5-{4-[Methyl-pyridin-2yl-amino)-ethoxy]-benzyl}-thiazolidine-2,4-dione) from human PPARgamma ligand binding domain expr...


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50306511
PNG
(4'-((3-(methylthio)-6-(2-phenylbutanamido)-2-propy...)
Show SMILES CCCc1c(SC)c2ccc(NC(=O)C(CC)c3ccccc3)cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C36H36N2O3S/c1-4-11-32-34(42-3)31-21-20-27(37-35(39)28(5-2)25-12-7-6-8-13-25)22-33(31)38(32)23-24-16-18-26(19-17-24)29-14-9-10-15-30(29)36(40)41/h6-10,12-22,28H,4-5,11,23H2,1-3H3,(H,37,39)(H,40,41)
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n/an/a 6.95E+3n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled GW2433 from human PPARdelta ligand binding domain expressed in Escherichia coli


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50306516
PNG
(4'-((2-methyl-5-(1-phenylpropylcarbamoyl)-1H-indol...)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)cc2c1)c1ccccc1
Show InChI InChI=1S/C33H30N2O3/c1-3-30(25-9-5-4-6-10-25)34-32(36)26-17-18-31-27(20-26)19-22(2)35(31)21-23-13-15-24(16-14-23)28-11-7-8-12-29(28)33(37)38/h4-20,30H,3,21H2,1-2H3,(H,34,36)(H,37,38)
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n/an/a 7.04E+3n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled GW2433 from human PPARalpha ligand binding domain expressed in Escherichia coli


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50306513
PNG
(4'-((2-methyl-3-(methylthio)-5-(1-phenylpropylcarb...)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(SC)c2c1)c1ccccc1
Show InChI InChI=1S/C34H32N2O3S/c1-4-30(25-10-6-5-7-11-25)35-33(37)26-18-19-31-29(20-26)32(40-3)22(2)36(31)21-23-14-16-24(17-15-23)27-12-8-9-13-28(27)34(38)39/h5-20,30H,4,21H2,1-3H3,(H,35,37)(H,38,39)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled GW2433 from human PPARalpha ligand binding domain expressed in Escherichia coli


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50306514
PNG
(4'-((2,3-dimethyl-5-(3-phenylpropylcarbamoyl)-1H-i...)
Show SMILES Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C34H32N2O3/c1-23-24(2)36(22-26-14-16-27(17-15-26)29-12-6-7-13-30(29)34(38)39)32-19-18-28(21-31(23)32)33(37)35-20-8-11-25-9-4-3-5-10-25/h3-7,9-10,12-19,21H,8,11,20,22H2,1-2H3,(H,35,37)(H,38,39)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled GW2433 from human PPARalpha ligand binding domain expressed in Escherichia coli


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50306515
PNG
(4'-((5-(benzylcarbamoyl)-2,3-dimethyl-1H-indol-1-y...)
Show SMILES Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C32H28N2O3/c1-21-22(2)34(20-24-12-14-25(15-13-24)27-10-6-7-11-28(27)32(36)37)30-17-16-26(18-29(21)30)31(35)33-19-23-8-4-3-5-9-23/h3-18H,19-20H2,1-2H3,(H,33,35)(H,36,37)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled GW2433 from human PPARalpha ligand binding domain expressed in Escherichia coli


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50306508
PNG
(4'-((2,3-dimethyl-5-(1-phenylpropylcarbamoyl)-1H-i...)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1
Show InChI InChI=1S/C34H32N2O3/c1-4-31(26-10-6-5-7-11-26)35-33(37)27-18-19-32-30(20-27)22(2)23(3)36(32)21-24-14-16-25(17-15-24)28-12-8-9-13-29(28)34(38)39/h5-20,31H,4,21H2,1-3H3,(H,35,37)(H,38,39)
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Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled GW2433 from human PPARalpha ligand binding domain expressed in Escherichia coli


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50306517
PNG
(4'-((2-methyl-6-(1-phenylpropylcarbamoyl)-1H-indol...)
Show SMILES CCC(NC(=O)c1ccc2cc(C)n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c2c1)c1ccccc1
Show InChI InChI=1S/C33H30N2O3/c1-3-30(25-9-5-4-6-10-25)34-32(36)27-18-17-26-19-22(2)35(31(26)20-27)21-23-13-15-24(16-14-23)28-11-7-8-12-29(28)33(37)38/h4-20,30H,3,21H2,1-2H3,(H,34,36)(H,37,38)
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Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled GW2433 from human PPARalpha ligand binding domain expressed in Escherichia coli


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50043280
PNG
(4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidaz...)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C
Show InChI InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)
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Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled GW2433 from human PPARalpha ligand binding domain expressed in Escherichia coli


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50043280
PNG
(4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidaz...)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C
Show InChI InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)
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Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled GW2433 from human PPARdelta ligand binding domain expressed in Escherichia coli


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50306517
PNG
(4'-((2-methyl-6-(1-phenylpropylcarbamoyl)-1H-indol...)
Show SMILES CCC(NC(=O)c1ccc2cc(C)n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c2c1)c1ccccc1
Show InChI InChI=1S/C33H30N2O3/c1-3-30(25-9-5-4-6-10-25)34-32(36)27-18-17-26-19-22(2)35(31(26)20-27)21-23-13-15-24(16-14-23)28-11-7-8-12-29(28)33(37)38/h4-20,30H,3,21H2,1-2H3,(H,34,36)(H,37,38)
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Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled GW2433 from human PPARdelta ligand binding domain expressed in Escherichia coli


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50306516
PNG
(4'-((2-methyl-5-(1-phenylpropylcarbamoyl)-1H-indol...)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)cc2c1)c1ccccc1
Show InChI InChI=1S/C33H30N2O3/c1-3-30(25-9-5-4-6-10-25)34-32(36)26-17-18-31-27(20-26)19-22(2)35(31)21-23-13-15-24(16-14-23)28-11-7-8-12-29(28)33(37)38/h4-20,30H,3,21H2,1-2H3,(H,34,36)(H,37,38)
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Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled GW2433 from human PPARdelta ligand binding domain expressed in Escherichia coli


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50306508
PNG
(4'-((2,3-dimethyl-5-(1-phenylpropylcarbamoyl)-1H-i...)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1
Show InChI InChI=1S/C34H32N2O3/c1-4-31(26-10-6-5-7-11-26)35-33(37)27-18-19-32-30(20-27)22(2)23(3)36(32)21-24-14-16-25(17-15-24)28-12-8-9-13-29(28)34(38)39/h5-20,31H,4,21H2,1-3H3,(H,35,37)(H,38,39)
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Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled GW2433 from human PPARdelta ligand binding domain expressed in Escherichia coli


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50306515
PNG
(4'-((5-(benzylcarbamoyl)-2,3-dimethyl-1H-indol-1-y...)
Show SMILES Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C32H28N2O3/c1-21-22(2)34(20-24-12-14-25(15-13-24)27-10-6-7-11-28(27)32(36)37)30-17-16-26(18-29(21)30)31(35)33-19-23-8-4-3-5-9-23/h3-18H,19-20H2,1-2H3,(H,33,35)(H,36,37)
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Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled GW2433 from human PPARdelta ligand binding domain expressed in Escherichia coli


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50306514
PNG
(4'-((2,3-dimethyl-5-(3-phenylpropylcarbamoyl)-1H-i...)
Show SMILES Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C34H32N2O3/c1-23-24(2)36(22-26-14-16-27(17-15-26)29-12-6-7-13-30(29)34(38)39)32-19-18-28(21-31(23)32)33(37)35-20-8-11-25-9-4-3-5-10-25/h3-7,9-10,12-19,21H,8,11,20,22H2,1-2H3,(H,35,37)(H,38,39)
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Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled GW2433 from human PPARdelta ligand binding domain expressed in Escherichia coli


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50306513
PNG
(4'-((2-methyl-3-(methylthio)-5-(1-phenylpropylcarb...)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(SC)c2c1)c1ccccc1
Show InChI InChI=1S/C34H32N2O3S/c1-4-30(25-10-6-5-7-11-25)35-33(37)26-18-19-31-29(20-26)32(40-3)22(2)36(31)21-23-14-16-24(17-15-23)27-12-8-9-13-28(27)34(38)39/h5-20,30H,4,21H2,1-3H3,(H,35,37)(H,38,39)
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Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled GW2433 from human PPARdelta ligand binding domain expressed in Escherichia coli


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50306512
PNG
(4'-((2,3-dimethyl-5-(2-phenylbutanamido)-1H-indol-...)
Show SMILES CCC(C(=O)Nc1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1
Show InChI InChI=1S/C34H32N2O3/c1-4-28(25-10-6-5-7-11-25)33(37)35-27-18-19-32-31(20-27)22(2)23(3)36(32)21-24-14-16-26(17-15-24)29-12-8-9-13-30(29)34(38)39/h5-20,28H,4,21H2,1-3H3,(H,35,37)(H,38,39)
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Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled GW2433 from human PPARalpha ligand binding domain expressed in Escherichia coli


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50306512
PNG
(4'-((2,3-dimethyl-5-(2-phenylbutanamido)-1H-indol-...)
Show SMILES CCC(C(=O)Nc1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1
Show InChI InChI=1S/C34H32N2O3/c1-4-28(25-10-6-5-7-11-25)33(37)35-27-18-19-32-31(20-27)22(2)23(3)36(32)21-24-14-16-26(17-15-24)29-12-8-9-13-30(29)34(38)39/h5-20,28H,4,21H2,1-3H3,(H,35,37)(H,38,39)
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Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled GW2433 from human PPARdelta ligand binding domain expressed in Escherichia coli


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50306510
PNG
(4'-((5-(2-phenylbutanamido)-2-propyl-1H-indol-1-yl...)
Show SMILES CCCc1cc2cc(NC(=O)C(CC)c3ccccc3)ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C35H34N2O3/c1-3-10-29-22-27-21-28(36-34(38)30(4-2)25-11-6-5-7-12-25)19-20-33(27)37(29)23-24-15-17-26(18-16-24)31-13-8-9-14-32(31)35(39)40/h5-9,11-22,30H,3-4,10,23H2,1-2H3,(H,36,38)(H,39,40)
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Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled GW2433 from human PPARalpha ligand binding domain expressed in Escherichia coli


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50306509
PNG
(4'-((3-(methylthio)-5-(2-phenylbutanamido)-2-propy...)
Show SMILES CCCc1c(SC)c2cc(NC(=O)C(CC)c3ccccc3)ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C36H36N2O3S/c1-4-11-33-34(42-3)31-22-27(37-35(39)28(5-2)25-12-7-6-8-13-25)20-21-32(31)38(33)23-24-16-18-26(19-17-24)29-14-9-10-15-30(29)36(40)41/h6-10,12-22,28H,4-5,11,23H2,1-3H3,(H,37,39)(H,40,41)
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Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled GW2433 from human PPARalpha ligand binding domain expressed in Escherichia coli


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50306511
PNG
(4'-((3-(methylthio)-6-(2-phenylbutanamido)-2-propy...)
Show SMILES CCCc1c(SC)c2ccc(NC(=O)C(CC)c3ccccc3)cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C36H36N2O3S/c1-4-11-32-34(42-3)31-21-20-27(37-35(39)28(5-2)25-12-7-6-8-13-25)22-33(31)38(32)23-24-16-18-26(19-17-24)29-14-9-10-15-30(29)36(40)41/h6-10,12-22,28H,4-5,11,23H2,1-3H3,(H,37,39)(H,40,41)
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Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled GW2433 from human PPARalpha ligand binding domain expressed in Escherichia coli


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50306510
PNG
(4'-((5-(2-phenylbutanamido)-2-propyl-1H-indol-1-yl...)
Show SMILES CCCc1cc2cc(NC(=O)C(CC)c3ccccc3)ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C35H34N2O3/c1-3-10-29-22-27-21-28(36-34(38)30(4-2)25-11-6-5-7-12-25)19-20-33(27)37(29)23-24-15-17-26(18-16-24)31-13-8-9-14-32(31)35(39)40/h5-9,11-22,30H,3-4,10,23H2,1-2H3,(H,36,38)(H,39,40)
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Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled GW2433 from human PPARdelta ligand binding domain expressed in Escherichia coli


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50306509
PNG
(4'-((3-(methylthio)-5-(2-phenylbutanamido)-2-propy...)
Show SMILES CCCc1c(SC)c2cc(NC(=O)C(CC)c3ccccc3)ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C36H36N2O3S/c1-4-11-33-34(42-3)31-22-27(37-35(39)28(5-2)25-12-7-6-8-13-25)20-21-32(31)38(33)23-24-16-18-26(19-17-24)29-14-9-10-15-30(29)36(40)41/h6-10,12-22,28H,4-5,11,23H2,1-3H3,(H,37,39)(H,40,41)
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Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled GW2433 from human PPARdelta ligand binding domain expressed in Escherichia coli


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50043280
PNG
(4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidaz...)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C
Show InChI InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)
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n/an/a 1.22E+4n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled ((5-{4-[Methyl-pyridin-2yl-amino)-ethoxy]-benzyl}-thiazolidine-2,4-dione) from human PPARgamma ligand binding domain expr...


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50229207
PNG
(CHEMBL403637 | N-(4-(trifluoromethylsulfonamido)be...)
Show SMILES Cc1csc(n1)-c1ccc(cc1)C(=O)NCc1ccc(NS(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C19H16F3N3O3S2/c1-12-11-29-18(24-12)15-6-4-14(5-7-15)17(26)23-10-13-2-8-16(9-3-13)25-30(27,28)19(20,21)22/h2-9,11,25H,10H2,1H3,(H,23,26)
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n/an/an/an/a 60n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM28706
PNG
(2-methyl-2-phenoxypropanoic acid, 25a | 2-methyl-2...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O4S/c1-13-18(33-20(28-13)15-6-8-16(9-7-15)23(24,25)26)19(29)27-12-14-4-10-17(11-5-14)32-22(2,3)21(30)31/h4-11H,12H2,1-3H3,(H,27,29)(H,30,31)
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n/an/an/an/a 20n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARalpha assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50229205
PNG
(CHEMBL253520 | N-(4-((trifluoromethylsulfonamido)m...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(CNS(=O)(=O)C(F)(F)F)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H17F6N3O3S2/c1-12-17(34-19(30-12)15-6-8-16(9-7-15)20(22,23)24)18(31)28-10-13-2-4-14(5-3-13)11-29-35(32,33)21(25,26)27/h2-9,29H,10-11H2,1H3,(H,28,31)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARgamma assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50229206
PNG
(CHEMBL253310 | N-(4-(trifluoromethylsulfonamido)be...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(NS(=O)(=O)C(F)(F)F)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H15F6N3O3S2/c1-11-16(33-18(28-11)13-4-6-14(7-5-13)19(21,22)23)17(30)27-10-12-2-8-15(9-3-12)29-34(31,32)20(24,25)26/h2-9,29H,10H2,1H3,(H,27,30)
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n/an/an/an/a 400n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50229208
PNG
(CHEMBL427890 | N-(4-(2,2,2-trifluoroethylsulfonami...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(NS(=O)(=O)CC(F)(F)F)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H17F6N3O3S2/c1-12-17(34-19(29-12)14-4-6-15(7-5-14)21(25,26)27)18(31)28-10-13-2-8-16(9-3-13)30-35(32,33)11-20(22,23)24/h2-9,30H,10-11H2,1H3,(H,28,31)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50229211
PNG
(CHEMBL254743 | N-(4-(2-methyl-1-oxo-1-(trifluorome...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(=O)NS(=O)(=O)C(F)(F)F)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H21F6N3O5S2/c1-13-18(39-20(32-13)15-6-8-16(9-7-15)23(25,26)27)19(34)31-12-14-4-10-17(11-5-14)38-22(2,3)21(35)33-40(36,37)24(28,29)30/h4-11H,12H2,1-3H3,(H,31,34)(H,33,35)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50229209
PNG
(CHEMBL404467 | N-(4-(4-methylphenylsulfonamido)ben...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H22F3N3O3S2/c1-16-3-13-22(14-4-16)37(34,35)32-21-11-5-18(6-12-21)15-30-24(33)23-17(2)31-25(36-23)19-7-9-20(10-8-19)26(27,28)29/h3-14,32H,15H2,1-2H3,(H,30,33)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50229210
PNG
(CHEMBL438346 | N-(4-(trifluoromethylsulfonamido)be...)
Show SMILES COc1ccc2sc(cc2c1)C(=O)NCc1ccc(NS(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C18H15F3N2O4S2/c1-27-14-6-7-15-12(8-14)9-16(28-15)17(24)22-10-11-2-4-13(5-3-11)23-29(25,26)18(19,20)21/h2-9,23H,10H2,1H3,(H,22,24)
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n/an/an/an/a 130n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARalpha assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50229212
PNG
(CHEMBL254946 | N-(4-(propan-2-ylsulfonamido)benzyl...)
Show SMILES CC(C)S(=O)(=O)Nc1ccc(CNC(=O)c2sc(nc2C)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H22F3N3O3S2/c1-13(2)33(30,31)28-18-10-4-15(5-11-18)12-26-20(29)19-14(3)27-21(32-19)16-6-8-17(9-7-16)22(23,24)25/h4-11,13,28H,12H2,1-3H3,(H,26,29)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARgamma assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50229210
PNG
(CHEMBL438346 | N-(4-(trifluoromethylsulfonamido)be...)
Show SMILES COc1ccc2sc(cc2c1)C(=O)NCc1ccc(NS(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C18H15F3N2O4S2/c1-27-14-6-7-15-12(8-14)9-16(28-15)17(24)22-10-11-2-4-13(5-3-11)23-29(25,26)18(19,20)21/h2-9,23H,10H2,1H3,(H,22,24)
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n/an/an/an/a 80n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50229205
PNG
(CHEMBL253520 | N-(4-((trifluoromethylsulfonamido)m...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(CNS(=O)(=O)C(F)(F)F)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H17F6N3O3S2/c1-12-17(34-19(30-12)15-6-8-16(9-7-15)20(22,23)24)18(31)28-10-13-2-4-14(5-3-13)11-29-35(32,33)21(25,26)27/h2-9,29H,10-11H2,1H3,(H,28,31)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50229215
PNG
(CHEMBL254540 | N-(4-((2H-tetrazol-5-yl)methoxy)ben...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OCc2nnn[nH]2)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N6O2S/c1-12-18(33-20(26-12)14-4-6-15(7-5-14)21(22,23)24)19(31)25-10-13-2-8-16(9-3-13)32-11-17-27-29-30-28-17/h2-9H,10-11H2,1H3,(H,25,31)(H,27,28,29,30)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARgamma assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50229214
PNG
(2-(4-{[(4'-cyano-biphenyl-4-carbonyl)-amino]-methy...)
Show SMILES CC(C)(Oc1ccc(CNC(=O)c2ccc(cc2)-c2ccc(cc2)C#N)cc1)C(O)=O
Show InChI InChI=1S/C25H22N2O4/c1-25(2,24(29)30)31-22-13-5-18(6-14-22)16-27-23(28)21-11-9-20(10-12-21)19-7-3-17(15-26)4-8-19/h3-14H,16H2,1-2H3,(H,27,28)(H,29,30)
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n/an/an/an/a 1.00E+3n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50229213
PNG
(2-methyl-2-(4-((4-(4-methylthiazol-2-yl)benzamido)...)
Show SMILES Cc1csc(n1)-c1ccc(cc1)C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-13-29-20(24-14)17-8-6-16(7-9-17)19(25)23-12-15-4-10-18(11-5-15)28-22(2,3)21(26)27/h4-11,13H,12H2,1-3H3,(H,23,25)(H,26,27)
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n/an/an/an/a 5.00E+3n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50229212
PNG
(CHEMBL254946 | N-(4-(propan-2-ylsulfonamido)benzyl...)
Show SMILES CC(C)S(=O)(=O)Nc1ccc(CNC(=O)c2sc(nc2C)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H22F3N3O3S2/c1-13(2)33(30,31)28-18-10-4-15(5-11-18)12-26-20(29)19-14(3)27-21(32-19)16-6-8-17(9-7-16)22(23,24)25/h4-11,13,28H,12H2,1-3H3,(H,26,29)
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n/an/an/an/a 50n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50229216
PNG
(CHEMBL254742 | N-(4-(2-hydroxy-3,4-dioxocyclobut-1...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(cc1)-c1c(O)c(=O)c1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H15F3N2O4S/c1-11-20(33-22(28-11)14-6-8-15(9-7-14)23(24,25)26)21(32)27-10-12-2-4-13(5-3-12)16-17(29)19(31)18(16)30/h2-9,29H,10H2,1H3,(H,27,32)
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Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
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