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Compile Data Set for Download or QSAR

Found 59 hits from CNRS UMR 6052   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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8n/an/an/an/an/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172823
PNG
(8-Hydroxy-8-(2-pentyloxy-phenyl)-octanoic acid met...)
Show SMILES CCCCCOc1ccccc1C(O)CCCCCCC(=O)OC
Show InChI InChI=1S/C20H32O4/c1-3-4-11-16-24-19-14-10-9-12-17(19)18(21)13-7-5-6-8-15-20(22)23-2/h9-10,12,14,18,21H,3-8,11,13,15-16H2,1-2H3
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515n/an/an/an/an/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172805
PNG
(9-Hydroxy-9-(3-pentyloxy-naphthalen-2-yl)-nonanoic...)
Show SMILES CCCCCOc1cc2ccccc2cc1C(O)CCCCCCCC(=O)OC
Show InChI InChI=1S/C25H36O4/c1-3-4-12-17-29-24-19-21-14-11-10-13-20(21)18-22(24)23(26)15-8-6-5-7-9-16-25(27)28-2/h10-11,13-14,18-19,23,26H,3-9,12,15-17H2,1-2H3
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579n/an/an/an/an/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172816
PNG
(8-Hydroxy-8-(3-pentyloxy-naphthalen-2-yl)-oct-5-yn...)
Show SMILES CCCCCOc1cc2ccccc2cc1C(O)CC#CCCCC(=O)OC
Show InChI InChI=1S/C24H30O4/c1-3-4-11-16-28-23-18-20-13-10-9-12-19(20)17-21(23)22(25)14-7-5-6-8-15-24(26)27-2/h9-10,12-13,17-18,22,25H,3-4,6,8,11,14-16H2,1-2H3
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695n/an/an/an/an/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172806
PNG
((E)-8-Hydroxy-8-(3-pentyloxy-naphthalen-2-yl)-oct-...)
Show SMILES CCCCCOc1cc2ccccc2cc1C(O)C\C=C\CCCC(=O)OC
Show InChI InChI=1S/C24H32O4/c1-3-4-11-16-28-23-18-20-13-10-9-12-19(20)17-21(23)22(25)14-7-5-6-8-15-24(26)27-2/h5,7,9-10,12-13,17-18,22,25H,3-4,6,8,11,14-16H2,1-2H3/b7-5+
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718n/an/an/an/an/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172802
PNG
(CHEMBL383607 | Sodium 8-hydroxy-8-(2-pentyloxy-qui...)
Show SMILES CCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC([O-])=O
Show InChI InChI=1S/C22H27NO4/c1-2-3-10-15-27-22-18(16-17-11-8-9-12-19(17)23-22)20(24)13-6-4-5-7-14-21(25)26/h8-9,11-12,16,20,24H,2-3,5,7,10,13-15H2,1H3,(H,25,26)/p-1
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947n/an/an/an/an/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172810
PNG
(CHEMBL199121 | Sodium; 8-hydroxy-8-(3-pentyloxy-na...)
Show SMILES CCCCCOc1cc2ccccc2cc1C(O)CCCCCCC([O-])=O
Show InChI InChI=1S/C23H32O4/c1-2-3-10-15-27-22-17-19-12-9-8-11-18(19)16-20(22)21(24)13-6-4-5-7-14-23(25)26/h8-9,11-12,16-17,21,24H,2-7,10,13-15H2,1H3,(H,25,26)/p-1
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969n/an/an/an/an/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172817
PNG
(8-Hydroxy-8-(2-pentyloxy-phenyl)-oct-5-ynoic acid ...)
Show SMILES CCCCCOc1ccccc1C(O)CC#CCCCC(=O)OC
Show InChI InChI=1S/C20H28O4/c1-3-4-11-16-24-19-14-10-9-12-17(19)18(21)13-7-5-6-8-15-20(22)23-2/h9-10,12,14,18,21H,3-4,6,8,11,13,15-16H2,1-2H3
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1.05E+3n/an/an/an/an/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172822
PNG
(CHEMBL198163 | Sodium; 8-hydroxy-8-(3-pentyloxy-na...)
Show SMILES CCCCCOc1cc2ccccc2cc1C(O)CC#CCCCC([O-])=O
Show InChI InChI=1S/C23H28O4/c1-2-3-10-15-27-22-17-19-12-9-8-11-18(19)16-20(22)21(24)13-6-4-5-7-14-23(25)26/h8-9,11-12,16-17,21,24H,2-3,5,7,10,13-15H2,1H3,(H,25,26)/p-1
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4.39E+3n/an/an/an/an/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172818
PNG
(CHEMBL196261 | Sodium; 8-hydroxy-8-(2-pentyloxy-ph...)
Show SMILES CCCCCOc1ccccc1C(O)CCCCCCC([O-])=O
Show InChI InChI=1S/C19H30O4/c1-2-3-10-15-23-18-13-9-8-11-16(18)17(20)12-6-4-5-7-14-19(21)22/h8-9,11,13,17,20H,2-7,10,12,14-15H2,1H3,(H,21,22)/p-1
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6.69E+3n/an/an/an/an/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172824
PNG
(9-Hydroxy-9-(2-pentyloxy-quinolin-3-yl)-nonanoic a...)
Show SMILES CCCCCOc1nc2ccccc2cc1C(O)CCCCCCCC(=O)OC
Show InChI InChI=1S/C24H35NO4/c1-3-4-12-17-29-24-20(18-19-13-10-11-14-21(19)25-24)22(26)15-8-6-5-7-9-16-23(27)28-2/h10-11,13-14,18,22,26H,3-9,12,15-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172815
PNG
(CHEMBL370374 | Sodium; 8-hydroxy-8-(2-pentyloxy-ph...)
Show SMILES CCCCCOc1ccccc1C(O)CC#CCCCC([O-])=O
Show InChI InChI=1S/C19H26O4/c1-2-3-10-15-23-18-13-9-8-11-16(18)17(20)12-6-4-5-7-14-19(21)22/h8-9,11,13,17,20H,2-3,5,7,10,12,14-15H2,1H3,(H,21,22)/p-1
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>1.00E+4n/an/an/an/an/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172809
PNG
(CHEMBL199172 | Sodium; 8-hydroxy-8-(2-pentyloxy-py...)
Show SMILES CCCCCOc1ncccc1C(O)CC#CCCCC([O-])=O
Show InChI InChI=1S/C18H25NO4/c1-2-3-8-14-23-18-15(10-9-13-19-18)16(20)11-6-4-5-7-12-17(21)22/h9-10,13,16,20H,2-3,5,7-8,11-12,14H2,1H3,(H,21,22)/p-1
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>1.00E+4n/an/an/an/an/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172820
PNG
(CHEMBL196260 | Sodium; (E)-8-hydroxy-8-(2-pentylox...)
Show SMILES CCCCCOc1ncccc1C(O)C\C=C\CCCC([O-])=O
Show InChI InChI=1S/C18H27NO4/c1-2-3-8-14-23-18-15(10-9-13-19-18)16(20)11-6-4-5-7-12-17(21)22/h4,6,9-10,13,16,20H,2-3,5,7-8,11-12,14H2,1H3,(H,21,22)/p-1/b6-4+
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>1.00E+4n/an/an/an/an/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172814
PNG
(8-Hydroxy-8-(2-pentyloxy-pyridin-3-yl)-oct-5-ynoic...)
Show SMILES CCCCCOc1ncccc1C(O)CC#CCCCC(=O)OC
Show InChI InChI=1S/C19H27NO4/c1-3-4-9-15-24-19-16(11-10-14-20-19)17(21)12-7-5-6-8-13-18(22)23-2/h10-11,14,17,21H,3-4,6,8-9,12-13,15H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172804
PNG
(CHEMBL198034 | Sodium; 8-hydroxy-8-(2-pentyloxy-py...)
Show SMILES CCCCCOc1ncccc1C(O)CCCCCCC([O-])=O
Show InChI InChI=1S/C18H29NO4/c1-2-3-8-14-23-18-15(10-9-13-19-18)16(20)11-6-4-5-7-12-17(21)22/h9-10,13,16,20H,2-8,11-12,14H2,1H3,(H,21,22)/p-1
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>1.00E+4n/an/an/an/an/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172813
PNG
(8-Hydroxy-8-(2-pentyloxy-quinolin-3-yl)-oct-5-ynoi...)
Show SMILES CCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC(=O)OC
Show InChI InChI=1S/C23H29NO4/c1-3-4-11-16-28-23-19(17-18-12-9-10-13-20(18)24-23)21(25)14-7-5-6-8-15-22(26)27-2/h9-10,12-13,17,21,25H,3-4,6,8,11,14-16H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172808
PNG
(8-Hydroxy-8-(2-pentyloxy-pyridin-3-yl)-octanoic ac...)
Show SMILES CCCCCOc1ncccc1C(O)CCCCCCC(=O)OC
Show InChI InChI=1S/C19H31NO4/c1-3-4-9-15-24-19-16(11-10-14-20-19)17(21)12-7-5-6-8-13-18(22)23-2/h10-11,14,17,21H,3-9,12-13,15H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172803
PNG
((E)-8-Hydroxy-8-(2-pentyloxy-pyridin-3-yl)-oct-5-e...)
Show SMILES CCCCCOc1ncccc1C(O)C\C=C\CCCC(=O)OC
Show InChI InChI=1S/C19H29NO4/c1-3-4-9-15-24-19-16(11-10-14-20-19)17(21)12-7-5-6-8-13-18(22)23-2/h5,7,10-11,14,17,21H,3-4,6,8-9,12-13,15H2,1-2H3/b7-5+
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>1.00E+4n/an/an/an/an/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50172822
PNG
(CHEMBL198163 | Sodium; 8-hydroxy-8-(3-pentyloxy-na...)
Show SMILES CCCCCOc1cc2ccccc2cc1C(O)CC#CCCCC([O-])=O
Show InChI InChI=1S/C23H28O4/c1-2-3-10-15-27-22-17-19-12-9-8-11-18(19)16-20(22)21(24)13-6-4-5-7-14-23(25)26/h8-9,11-12,16-17,21,24H,2-3,5,7,10,13-15H2,1H3,(H,25,26)/p-1
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n/an/an/an/a 723n/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
In vitro effective concentration against human peroxisome proliferator activated receptor alpha/Gal4 in transactivation assay


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172817
PNG
(8-Hydroxy-8-(2-pentyloxy-phenyl)-oct-5-ynoic acid ...)
Show SMILES CCCCCOc1ccccc1C(O)CC#CCCCC(=O)OC
Show InChI InChI=1S/C20H28O4/c1-3-4-11-16-24-19-14-10-9-12-17(19)18(21)13-7-5-6-8-15-20(22)23-2/h9-10,12,14,18,21H,3-4,6,8,11,13,15-16H2,1-2H3
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n/an/an/an/a 642n/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
In vitro effective concentration against human peroxisome proliferator activated receptor gamma/Gal4 in cell-based transactivation assay


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172815
PNG
(CHEMBL370374 | Sodium; 8-hydroxy-8-(2-pentyloxy-ph...)
Show SMILES CCCCCOc1ccccc1C(O)CC#CCCCC([O-])=O
Show InChI InChI=1S/C19H26O4/c1-2-3-10-15-23-18-13-9-8-11-16(18)17(20)12-6-4-5-7-14-19(21)22/h8-9,11,13,17,20H,2-3,5,7,10,12,14-15H2,1H3,(H,21,22)/p-1
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n/an/an/an/a>1.00E+4n/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
In vitro effective concentration against human peroxisome proliferator activated receptor gamma/Gal4 in cell-based transactivation assay


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM24566
PNG
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
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n/an/an/an/a>1.00E+4n/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
In vitro effective concentration against human peroxisome proliferator activated receptor gamma/Gal4 in cell-based transactivation assay


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172813
PNG
(8-Hydroxy-8-(2-pentyloxy-quinolin-3-yl)-oct-5-ynoi...)
Show SMILES CCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC(=O)OC
Show InChI InChI=1S/C23H29NO4/c1-3-4-11-16-28-23-19(17-18-12-9-10-13-20(18)24-23)21(25)14-7-5-6-8-15-22(26)27-2/h9-10,12-13,17,21,25H,3-4,6,8,11,14-16H2,1-2H3
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n/an/an/an/a 1.41E+3n/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
In vitro effective concentration against human peroxisome proliferator activated receptor gamma/Gal4 in cell-based transactivation assay


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50172814
PNG
(8-Hydroxy-8-(2-pentyloxy-pyridin-3-yl)-oct-5-ynoic...)
Show SMILES CCCCCOc1ncccc1C(O)CC#CCCCC(=O)OC
Show InChI InChI=1S/C19H27NO4/c1-3-4-9-15-24-19-16(11-10-14-20-19)17(21)12-7-5-6-8-13-18(22)23-2/h10-11,14,17,21H,3-4,6,8-9,12-13,15H2,1-2H3
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n/an/an/an/a 1.63E+3n/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
In vitro effective concentration against human peroxisome proliferator activated receptor alpha/Gal4 in transactivation assay


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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n/an/an/an/a>1.00E+4n/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
In vitro effective concentration against human peroxisome proliferator activated receptor alpha/Gal4 in transactivation assay


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50172818
PNG
(CHEMBL196261 | Sodium; 8-hydroxy-8-(2-pentyloxy-ph...)
Show SMILES CCCCCOc1ccccc1C(O)CCCCCCC([O-])=O
Show InChI InChI=1S/C19H30O4/c1-2-3-10-15-23-18-13-9-8-11-16(18)17(20)12-6-4-5-7-14-19(21)22/h8-9,11,13,17,20H,2-7,10,12,14-15H2,1H3,(H,21,22)/p-1
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n/an/an/an/a>1.00E+4n/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
In vitro effective concentration against human peroxisome proliferator activated receptor alpha/Gal4 in transactivation assay


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172820
PNG
(CHEMBL196260 | Sodium; (E)-8-hydroxy-8-(2-pentylox...)
Show SMILES CCCCCOc1ncccc1C(O)C\C=C\CCCC([O-])=O
Show InChI InChI=1S/C18H27NO4/c1-2-3-8-14-23-18-15(10-9-13-19-18)16(20)11-6-4-5-7-12-17(21)22/h4,6,9-10,13,16,20H,2-3,5,7-8,11-12,14H2,1H3,(H,21,22)/p-1/b6-4+
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n/an/an/an/a>1.00E+4n/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
In vitro effective concentration against human peroxisome proliferator activated receptor gamma/Gal4 in cell-based transactivation assay


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172809
PNG
(CHEMBL199172 | Sodium; 8-hydroxy-8-(2-pentyloxy-py...)
Show SMILES CCCCCOc1ncccc1C(O)CC#CCCCC([O-])=O
Show InChI InChI=1S/C18H25NO4/c1-2-3-8-14-23-18-15(10-9-13-19-18)16(20)11-6-4-5-7-12-17(21)22/h9-10,13,16,20H,2-3,5,7-8,11-12,14H2,1H3,(H,21,22)/p-1
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n/an/an/an/a>1.00E+4n/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
In vitro effective concentration against human peroxisome proliferator activated receptor gamma/Gal4 in cell-based transactivation assay


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50172803
PNG
((E)-8-Hydroxy-8-(2-pentyloxy-pyridin-3-yl)-oct-5-e...)
Show SMILES CCCCCOc1ncccc1C(O)C\C=C\CCCC(=O)OC
Show InChI InChI=1S/C19H29NO4/c1-3-4-9-15-24-19-16(11-10-14-20-19)17(21)12-7-5-6-8-13-18(22)23-2/h5,7,10-11,14,17,21H,3-4,6,8-9,12-13,15H2,1-2H3/b7-5+
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n/an/an/an/a>1.00E+4n/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
In vitro effective concentration against human peroxisome proliferator activated receptor alpha/Gal4 in transactivation assay


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172823
PNG
(8-Hydroxy-8-(2-pentyloxy-phenyl)-octanoic acid met...)
Show SMILES CCCCCOc1ccccc1C(O)CCCCCCC(=O)OC
Show InChI InChI=1S/C20H32O4/c1-3-4-11-16-24-19-14-10-9-12-17(19)18(21)13-7-5-6-8-15-20(22)23-2/h9-10,12,14,18,21H,3-8,11,13,15-16H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
In vitro effective concentration against human peroxisome proliferator activated receptor gamma/Gal4 in cell-based transactivation assay


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172816
PNG
(8-Hydroxy-8-(3-pentyloxy-naphthalen-2-yl)-oct-5-yn...)
Show SMILES CCCCCOc1cc2ccccc2cc1C(O)CC#CCCCC(=O)OC
Show InChI InChI=1S/C24H30O4/c1-3-4-11-16-28-23-18-20-13-10-9-12-19(20)17-21(23)22(25)14-7-5-6-8-15-24(26)27-2/h9-10,12-13,17-18,22,25H,3-4,6,8,11,14-16H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
In vitro effective concentration against human peroxisome proliferator activated receptor gamma/Gal4 in cell-based transactivation assay


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50172806
PNG
((E)-8-Hydroxy-8-(3-pentyloxy-naphthalen-2-yl)-oct-...)
Show SMILES CCCCCOc1cc2ccccc2cc1C(O)C\C=C\CCCC(=O)OC
Show InChI InChI=1S/C24H32O4/c1-3-4-11-16-28-23-18-20-13-10-9-12-19(20)17-21(23)22(25)14-7-5-6-8-15-24(26)27-2/h5,7,9-10,12-13,17-18,22,25H,3-4,6,8,11,14-16H2,1-2H3/b7-5+
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n/an/an/an/a 1.45E+3n/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
In vitro effective concentration against human peroxisome proliferator activated receptor alpha/Gal4 in transactivation assay


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172822
PNG
(CHEMBL198163 | Sodium; 8-hydroxy-8-(3-pentyloxy-na...)
Show SMILES CCCCCOc1cc2ccccc2cc1C(O)CC#CCCCC([O-])=O
Show InChI InChI=1S/C23H28O4/c1-2-3-10-15-27-22-17-19-12-9-8-11-18(19)16-20(22)21(24)13-6-4-5-7-14-23(25)26/h8-9,11-12,16-17,21,24H,2-3,5,7,10,13-15H2,1H3,(H,25,26)/p-1
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n/an/an/an/a>1.00E+4n/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
In vitro effective concentration against human peroxisome proliferator activated receptor gamma/Gal4 in cell-based transactivation assay


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50172823
PNG
(8-Hydroxy-8-(2-pentyloxy-phenyl)-octanoic acid met...)
Show SMILES CCCCCOc1ccccc1C(O)CCCCCCC(=O)OC
Show InChI InChI=1S/C20H32O4/c1-3-4-11-16-24-19-14-10-9-12-17(19)18(21)13-7-5-6-8-15-20(22)23-2/h9-10,12,14,18,21H,3-8,11,13,15-16H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
In vitro effective concentration against human peroxisome proliferator activated receptor alpha/Gal4 in transactivation assay


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50172824
PNG
(9-Hydroxy-9-(2-pentyloxy-quinolin-3-yl)-nonanoic a...)
Show SMILES CCCCCOc1nc2ccccc2cc1C(O)CCCCCCCC(=O)OC
Show InChI InChI=1S/C24H35NO4/c1-3-4-12-17-29-24-20(18-19-13-10-11-14-21(19)25-24)22(26)15-8-6-5-7-9-16-23(27)28-2/h10-11,13-14,18,22,26H,3-9,12,15-17H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
In vitro effective concentration against human peroxisome proliferator activated receptor alpha/Gal4 in transactivation assay


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172824
PNG
(9-Hydroxy-9-(2-pentyloxy-quinolin-3-yl)-nonanoic a...)
Show SMILES CCCCCOc1nc2ccccc2cc1C(O)CCCCCCCC(=O)OC
Show InChI InChI=1S/C24H35NO4/c1-3-4-12-17-29-24-20(18-19-13-10-11-14-21(19)25-24)22(26)15-8-6-5-7-9-16-23(27)28-2/h10-11,13-14,18,22,26H,3-9,12,15-17H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
In vitro effective concentration against human peroxisome proliferator activated receptor gamma/Gal4 in cell-based transactivation assay


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50172804
PNG
(CHEMBL198034 | Sodium; 8-hydroxy-8-(2-pentyloxy-py...)
Show SMILES CCCCCOc1ncccc1C(O)CCCCCCC([O-])=O
Show InChI InChI=1S/C18H29NO4/c1-2-3-8-14-23-18-15(10-9-13-19-18)16(20)11-6-4-5-7-12-17(21)22/h9-10,13,16,20H,2-8,11-12,14H2,1H3,(H,21,22)/p-1
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n/an/an/an/a>1.00E+4n/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
In vitro effective concentration against human peroxisome proliferator activated receptor alpha/Gal4 in transactivation assay


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50172805
PNG
(9-Hydroxy-9-(3-pentyloxy-naphthalen-2-yl)-nonanoic...)
Show SMILES CCCCCOc1cc2ccccc2cc1C(O)CCCCCCCC(=O)OC
Show InChI InChI=1S/C25H36O4/c1-3-4-12-17-29-24-19-21-14-11-10-13-20(21)18-22(24)23(26)15-8-6-5-7-9-16-25(27)28-2/h10-11,13-14,18-19,23,26H,3-9,12,15-17H2,1-2H3
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n/an/an/an/a 1.53E+3n/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
In vitro effective concentration against human peroxisome proliferator activated receptor alpha/Gal4 in transactivation assay


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50172808
PNG
(8-Hydroxy-8-(2-pentyloxy-pyridin-3-yl)-octanoic ac...)
Show SMILES CCCCCOc1ncccc1C(O)CCCCCCC(=O)OC
Show InChI InChI=1S/C19H31NO4/c1-3-4-9-15-24-19-16(11-10-14-20-19)17(21)12-7-5-6-8-13-18(22)23-2/h10-11,14,17,21H,3-9,12-13,15H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
In vitro effective concentration against human peroxisome proliferator activated receptor alpha/Gal4 in transactivation assay


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50172820
PNG
(CHEMBL196260 | Sodium; (E)-8-hydroxy-8-(2-pentylox...)
Show SMILES CCCCCOc1ncccc1C(O)C\C=C\CCCC([O-])=O
Show InChI InChI=1S/C18H27NO4/c1-2-3-8-14-23-18-15(10-9-13-19-18)16(20)11-6-4-5-7-12-17(21)22/h4,6,9-10,13,16,20H,2-3,5,7-8,11-12,14H2,1H3,(H,21,22)/p-1/b6-4+
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n/an/an/an/a>1.00E+4n/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
In vitro effective concentration against human peroxisome proliferator activated receptor alpha/Gal4 in transactivation assay


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172806
PNG
((E)-8-Hydroxy-8-(3-pentyloxy-naphthalen-2-yl)-oct-...)
Show SMILES CCCCCOc1cc2ccccc2cc1C(O)C\C=C\CCCC(=O)OC
Show InChI InChI=1S/C24H32O4/c1-3-4-11-16-28-23-18-20-13-10-9-12-19(20)17-21(23)22(25)14-7-5-6-8-15-24(26)27-2/h5,7,9-10,12-13,17-18,22,25H,3-4,6,8,11,14-16H2,1-2H3/b7-5+
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n/an/an/an/a>1.00E+4n/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
In vitro effective concentration against human peroxisome proliferator activated receptor gamma/Gal4 in cell-based transactivation assay


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172808
PNG
(8-Hydroxy-8-(2-pentyloxy-pyridin-3-yl)-octanoic ac...)
Show SMILES CCCCCOc1ncccc1C(O)CCCCCCC(=O)OC
Show InChI InChI=1S/C19H31NO4/c1-3-4-9-15-24-19-16(11-10-14-20-19)17(21)12-7-5-6-8-13-18(22)23-2/h10-11,14,17,21H,3-9,12-13,15H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
In vitro effective concentration against human peroxisome proliferator activated receptor gamma/Gal4 in cell-based transactivation assay


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172802
PNG
(CHEMBL383607 | Sodium 8-hydroxy-8-(2-pentyloxy-qui...)
Show SMILES CCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC([O-])=O
Show InChI InChI=1S/C22H27NO4/c1-2-3-10-15-27-22-18(16-17-11-8-9-12-19(17)23-22)20(24)13-6-4-5-7-14-21(25)26/h8-9,11-12,16,20,24H,2-3,5,7,10,13-15H2,1H3,(H,25,26)/p-1
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n/an/an/an/a 617n/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
In vitro effective concentration against human peroxisome proliferator activated receptor gamma/Gal4 in cell-based transactivation assay


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172818
PNG
(CHEMBL196261 | Sodium; 8-hydroxy-8-(2-pentyloxy-ph...)
Show SMILES CCCCCOc1ccccc1C(O)CCCCCCC([O-])=O
Show InChI InChI=1S/C19H30O4/c1-2-3-10-15-23-18-13-9-8-11-16(18)17(20)12-6-4-5-7-14-19(21)22/h8-9,11,13,17,20H,2-7,10,12,14-15H2,1H3,(H,21,22)/p-1
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n/an/an/an/a>1.00E+4n/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
In vitro effective concentration against human peroxisome proliferator activated receptor gamma/Gal4 in cell-based transactivation assay


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172814
PNG
(8-Hydroxy-8-(2-pentyloxy-pyridin-3-yl)-oct-5-ynoic...)
Show SMILES CCCCCOc1ncccc1C(O)CC#CCCCC(=O)OC
Show InChI InChI=1S/C19H27NO4/c1-3-4-9-15-24-19-16(11-10-14-20-19)17(21)12-7-5-6-8-13-18(22)23-2/h10-11,14,17,21H,3-4,6,8-9,12-13,15H2,1-2H3
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n/an/an/an/a 549n/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
In vitro effective concentration against human peroxisome proliferator activated receptor gamma/Gal4 in cell-based transactivation assay


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50172810
PNG
(CHEMBL199121 | Sodium; 8-hydroxy-8-(3-pentyloxy-na...)
Show SMILES CCCCCOc1cc2ccccc2cc1C(O)CCCCCCC([O-])=O
Show InChI InChI=1S/C23H32O4/c1-2-3-10-15-27-22-17-19-12-9-8-11-18(19)16-20(22)21(24)13-6-4-5-7-14-23(25)26/h8-9,11-12,16-17,21,24H,2-7,10,13-15H2,1H3,(H,25,26)/p-1
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n/an/an/an/a 1.49E+3n/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
In vitro effective concentration against human peroxisome proliferator activated receptor alpha/Gal4 in transactivation assay


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50172815
PNG
(CHEMBL370374 | Sodium; 8-hydroxy-8-(2-pentyloxy-ph...)
Show SMILES CCCCCOc1ccccc1C(O)CC#CCCCC([O-])=O
Show InChI InChI=1S/C19H26O4/c1-2-3-10-15-23-18-13-9-8-11-16(18)17(20)12-6-4-5-7-14-19(21)22/h8-9,11,13,17,20H,2-3,5,7,10,12,14-15H2,1H3,(H,21,22)/p-1
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n/an/an/an/a>1.00E+4n/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
In vitro effective concentration against human peroxisome proliferator activated receptor alpha/Gal4 in transactivation assay


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM24566
PNG
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
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n/an/an/an/a>1.00E+4n/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
In vitro effective concentration against human peroxisome proliferator activated receptor alpha/Gal4 in transactivation assay


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50172817
PNG
(8-Hydroxy-8-(2-pentyloxy-phenyl)-oct-5-ynoic acid ...)
Show SMILES CCCCCOc1ccccc1C(O)CC#CCCCC(=O)OC
Show InChI InChI=1S/C20H28O4/c1-3-4-11-16-24-19-14-10-9-12-17(19)18(21)13-7-5-6-8-15-20(22)23-2/h9-10,12,14,18,21H,3-4,6,8,11,13,15-16H2,1-2H3
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n/an/an/an/a 173n/an/an/an/a



CNRS UMR 6052

Curated by ChEMBL


Assay Description
In vitro effective concentration against human peroxisome proliferator activated receptor alpha/Gal4 in transactivation assay


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
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