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PubMed code 15177462

Compile data set for download or QSAR
Found 38 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50148450
PNG
(2-{4-[2-(Naphthalen-2-yloxy)-ethoxy]-benzyl}-malon...)
Show SMILES COC(=O)C(Cc1ccc(OCCOc2ccc3ccccc3c2)cc1)C(=O)OC
Show InChI InChI=1S/C24H24O6/c1-27-23(25)22(24(26)28-2)15-17-7-10-20(11-8-17)29-13-14-30-21-12-9-18-5-3-4-6-19(18)16-21/h3-12,16,22H,13-15H2,1-2H3
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n/an/an/an/a 530n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-gamma (PPAR gamma)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50148452
PNG
(2-{4-[2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-na...)
Show SMILES COC(=O)C(Cc1ccc(OCCOc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1)C(O)=O
Show InChI InChI=1S/C27H34O6/c1-26(2)12-13-27(3,4)23-17-20(10-11-22(23)26)33-15-14-32-19-8-6-18(7-9-19)16-21(24(28)29)25(30)31-5/h6-11,17,21H,12-16H2,1-5H3,(H,28,29)
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n/an/an/an/a 90n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-gamma (PPAR gamma)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50148451
PNG
(2-{4-[2-(5,6,7,8-Tetrahydro-naphthalen-2-yloxy)-et...)
Show SMILES COC(=O)C(Cc1ccc(OCCOc2ccc3CCCCc3c2)cc1)C(=O)OC
Show InChI InChI=1S/C24H28O6/c1-27-23(25)22(24(26)28-2)15-17-7-10-20(11-8-17)29-13-14-30-21-12-9-18-5-3-4-6-19(18)16-21/h7-12,16,22H,3-6,13-15H2,1-2H3
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n/an/an/an/a 1.50E+3n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-gamma (PPAR gamma)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50148446
PNG
(2-{4-[2-(1,2,3,4-Tetrahydro-quinolin-7-yloxy)-etho...)
Show SMILES COC(=O)C(Cc1ccc(OCCOc2ccc3CCCNc3c2)cc1)C(=O)OC
Show InChI InChI=1S/C23H27NO6/c1-27-22(25)20(23(26)28-2)14-16-5-8-18(9-6-16)29-12-13-30-19-10-7-17-4-3-11-24-21(17)15-19/h5-10,15,20,24H,3-4,11-14H2,1-2H3
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n/an/an/an/a 3.16E+3n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-delta (PPAR delta)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50148440
PNG
(2-{4-[2-(5,6,7,8-Tetrahydro-naphthalen-2-yloxy)-et...)
Show SMILES OC(=O)C(Cc1ccc(OCCOc2ccc3CCCCc3c2)cc1)C(O)=O
Show InChI InChI=1S/C22H24O6/c23-21(24)20(22(25)26)13-15-5-8-18(9-6-15)27-11-12-28-19-10-7-16-3-1-2-4-17(16)14-19/h5-10,14,20H,1-4,11-13H2,(H,23,24)(H,25,26)
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n/an/an/an/a 4.68E+3n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-delta (PPAR delta)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(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 1.46E+3n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-delta (PPAR delta)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50148446
PNG
(2-{4-[2-(1,2,3,4-Tetrahydro-quinolin-7-yloxy)-etho...)
Show SMILES COC(=O)C(Cc1ccc(OCCOc2ccc3CCCNc3c2)cc1)C(=O)OC
Show InChI InChI=1S/C23H27NO6/c1-27-22(25)20(23(26)28-2)14-16-5-8-18(9-6-16)29-12-13-30-19-10-7-17-4-3-11-24-21(17)15-19/h5-10,15,20,24H,3-4,11-14H2,1-2H3
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n/an/an/an/a 170n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-alpha (PPAR alpha)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50148444
PNG
(2-{4-[2-(Naphthalen-2-yloxy)-ethoxy]-benzyl}-malon...)
Show SMILES COC(=O)C(Cc1ccc(OCCOc2ccc3ccccc3c2)cc1)C(O)=O
Show InChI InChI=1S/C23H22O6/c1-27-23(26)21(22(24)25)14-16-6-9-19(10-7-16)28-12-13-29-20-11-8-17-4-2-3-5-18(17)15-20/h2-11,15,21H,12-14H2,1H3,(H,24,25)
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n/an/an/an/a 44n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-alpha (PPAR alpha)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50148444
PNG
(2-{4-[2-(Naphthalen-2-yloxy)-ethoxy]-benzyl}-malon...)
Show SMILES COC(=O)C(Cc1ccc(OCCOc2ccc3ccccc3c2)cc1)C(O)=O
Show InChI InChI=1S/C23H22O6/c1-27-23(26)21(22(24)25)14-16-6-9-19(10-7-16)28-12-13-29-20-11-8-17-4-2-3-5-18(17)15-20/h2-11,15,21H,12-14H2,1H3,(H,24,25)
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n/an/an/an/a 1.05E+3n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-delta (PPAR delta)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50148453
PNG
(2-{4-[2-(5,6,7,8-Tetrahydro-naphthalen-2-yloxy)-et...)
Show SMILES COC(=O)C(Cc1ccc(OCCOc2ccc3CCCCc3c2)cc1)C(N)=O
Show InChI InChI=1S/C23H27NO5/c1-27-23(26)21(22(24)25)14-16-6-9-19(10-7-16)28-12-13-29-20-11-8-17-4-2-3-5-18(17)15-20/h6-11,15,21H,2-5,12-14H2,1H3,(H2,24,25)
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n/an/an/an/a 3.43E+3n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-gamma (PPAR gamma)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50148446
PNG
(2-{4-[2-(1,2,3,4-Tetrahydro-quinolin-7-yloxy)-etho...)
Show SMILES COC(=O)C(Cc1ccc(OCCOc2ccc3CCCNc3c2)cc1)C(=O)OC
Show InChI InChI=1S/C23H27NO6/c1-27-22(25)20(23(26)28-2)14-16-5-8-18(9-6-16)29-12-13-30-19-10-7-17-4-3-11-24-21(17)15-19/h5-10,15,20,24H,3-4,11-14H2,1-2H3
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n/an/an/an/a 3.16E+3n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-gamma (PPAR gamma)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50148442
PNG
(2-{4-[2-(5,6,7,8-Tetrahydro-naphthalen-2-yloxy)-et...)
Show SMILES COC(=O)C(Cc1ccc(OCCOc2ccc3CCCCc3c2)cc1)C(O)=O
Show InChI InChI=1S/C23H26O6/c1-27-23(26)21(22(24)25)14-16-6-9-19(10-7-16)28-12-13-29-20-11-8-17-4-2-3-5-18(17)15-20/h6-11,15,21H,2-5,12-14H2,1H3,(H,24,25)
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n/an/an/an/a 690n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-gamma (PPAR gamma)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(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 2.88E+3n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-gamma (PPAR gamma)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50064455
PNG
(4-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-be...)
Show SMILES Cc1oc(nc1CCOc1ccc(Cc2c(O)[nH]oc2=O)cc1)-c1ccccc1
Show InChI InChI=1S/C22H20N2O5/c1-14-19(23-21(28-14)16-5-3-2-4-6-16)11-12-27-17-9-7-15(8-10-17)13-18-20(25)24-29-22(18)26/h2-10,24-25H,11-13H2,1H3
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n/an/an/an/a 83n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-gamma (PPAR gamma)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50148447
PNG
(2-{4-[2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-na...)
Show SMILES COC(=O)C(Cc1ccc(OCCOc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1)C(N)=O
Show InChI InChI=1S/C27H35NO5/c1-26(2)12-13-27(3,4)23-17-20(10-11-22(23)26)33-15-14-32-19-8-6-18(7-9-19)16-21(24(28)29)25(30)31-5/h6-11,17,21H,12-16H2,1-5H3,(H2,28,29)
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n/an/an/an/a 830n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-gamma (PPAR gamma)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50148440
PNG
(2-{4-[2-(5,6,7,8-Tetrahydro-naphthalen-2-yloxy)-et...)
Show SMILES OC(=O)C(Cc1ccc(OCCOc2ccc3CCCCc3c2)cc1)C(O)=O
Show InChI InChI=1S/C22H24O6/c23-21(24)20(22(25)26)13-15-5-8-18(9-6-15)27-11-12-28-19-10-7-16-3-1-2-4-17(16)14-19/h5-10,14,20H,1-4,11-13H2,(H,23,24)(H,25,26)
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n/an/an/an/a 2.11E+3n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-gamma (PPAR gamma)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50148454
PNG
(2-Bromo-hexadecanoic acid | CHEMBL118417)
Show SMILES CCCCCCCCCCCCCCC(Br)C(O)=O
Show InChI InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)
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n/an/an/an/a 3.72E+3n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-delta (PPAR delta)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50148444
PNG
(2-{4-[2-(Naphthalen-2-yloxy)-ethoxy]-benzyl}-malon...)
Show SMILES COC(=O)C(Cc1ccc(OCCOc2ccc3ccccc3c2)cc1)C(O)=O
Show InChI InChI=1S/C23H22O6/c1-27-23(26)21(22(24)25)14-16-6-9-19(10-7-16)28-12-13-29-20-11-8-17-4-2-3-5-18(17)15-20/h2-11,15,21H,12-14H2,1H3,(H,24,25)
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n/an/an/an/a 1.12E+3n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-gamma (PPAR gamma)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(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 3.62E+3n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-delta (PPAR delta)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50148449
PNG
(2-{4-[2-(Naphthalen-2-yloxy)-ethoxy]-benzyl}-malon...)
Show SMILES NC(=O)C(Cc1ccc(OCCOc2ccc3ccccc3c2)cc1)C(O)=O
Show InChI InChI=1S/C22H21NO5/c23-21(24)20(22(25)26)13-15-5-8-18(9-6-15)27-11-12-28-19-10-7-16-3-1-2-4-17(16)14-19/h1-10,14,20H,11-13H2,(H2,23,24)(H,25,26)
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n/an/an/an/a 2.63E+3n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-delta (PPAR delta)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50148449
PNG
(2-{4-[2-(Naphthalen-2-yloxy)-ethoxy]-benzyl}-malon...)
Show SMILES NC(=O)C(Cc1ccc(OCCOc2ccc3ccccc3c2)cc1)C(O)=O
Show InChI InChI=1S/C22H21NO5/c23-21(24)20(22(25)26)13-15-5-8-18(9-6-15)27-11-12-28-19-10-7-16-3-1-2-4-17(16)14-19/h1-10,14,20H,11-13H2,(H2,23,24)(H,25,26)
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n/an/an/an/a 3.02E+3n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-gamma (PPAR gamma)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor 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 1.55E+4n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-alpha (PPAR alpha)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50148441
PNG
(2-{4-[2-(1,2,3,4-Tetrahydro-quinolin-7-yloxy)-etho...)
Show SMILES NC(=O)C(Cc1ccc(OCCOc2ccc3CCCNc3c2)cc1)C(O)=O
Show InChI InChI=1S/C21H24N2O5/c22-20(24)18(21(25)26)12-14-3-6-16(7-4-14)27-10-11-28-17-8-5-15-2-1-9-23-19(15)13-17/h3-8,13,18,23H,1-2,9-12H2,(H2,22,24)(H,25,26)
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n/an/an/an/a 140n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-alpha (PPAR alpha)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50148443
PNG
(2-{4-[2-(1,2,3,4-Tetrahydro-quinolin-7-yloxy)-etho...)
Show SMILES COC(=O)C(Cc1ccc(OCCOc2ccc3CCCNc3c2)cc1)C(O)=O
Show InChI InChI=1S/C22H25NO6/c1-27-22(26)19(21(24)25)13-15-4-7-17(8-5-15)28-11-12-29-18-9-6-16-3-2-10-23-20(16)14-18/h4-9,14,19,23H,2-3,10-13H2,1H3,(H,24,25)
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n/an/an/an/a 3.80E+3n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-gamma (PPAR gamma)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50148441
PNG
(2-{4-[2-(1,2,3,4-Tetrahydro-quinolin-7-yloxy)-etho...)
Show SMILES NC(=O)C(Cc1ccc(OCCOc2ccc3CCCNc3c2)cc1)C(O)=O
Show InChI InChI=1S/C21H24N2O5/c22-20(24)18(21(25)26)12-14-3-6-16(7-4-14)27-10-11-28-17-8-5-15-2-1-9-23-19(15)13-17/h3-8,13,18,23H,1-2,9-12H2,(H2,22,24)(H,25,26)
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n/an/an/an/a 3.62E+3n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-delta (PPAR delta)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50064455
PNG
(4-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-be...)
Show SMILES Cc1oc(nc1CCOc1ccc(Cc2c(O)[nH]oc2=O)cc1)-c1ccccc1
Show InChI InChI=1S/C22H20N2O5/c1-14-19(23-21(28-14)16-5-3-2-4-6-16)11-12-27-17-9-7-15(8-10-17)13-18-20(25)24-29-22(18)26/h2-10,24-25H,11-13H2,1H3
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n/an/an/an/a 1.90E+3n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-alpha (PPAR alpha)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50148445
PNG
(2-{4-[2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-na...)
Show SMILES COC(=O)C(Cc1ccc(OCCOc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1)C(=O)OC
Show InChI InChI=1S/C28H36O6/c1-27(2)13-14-28(3,4)24-18-21(11-12-23(24)27)34-16-15-33-20-9-7-19(8-10-20)17-22(25(29)31-5)26(30)32-6/h7-12,18,22H,13-17H2,1-6H3
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n/an/an/an/a 150n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-gamma (PPAR gamma)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50148441
PNG
(2-{4-[2-(1,2,3,4-Tetrahydro-quinolin-7-yloxy)-etho...)
Show SMILES NC(=O)C(Cc1ccc(OCCOc2ccc3CCCNc3c2)cc1)C(O)=O
Show InChI InChI=1S/C21H24N2O5/c22-20(24)18(21(25)26)12-14-3-6-16(7-4-14)27-10-11-28-17-8-5-15-2-1-9-23-19(15)13-17/h3-8,13,18,23H,1-2,9-12H2,(H2,22,24)(H,25,26)
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n/an/an/an/a 2.88E+3n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-gamma (PPAR gamma)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50148443
PNG
(2-{4-[2-(1,2,3,4-Tetrahydro-quinolin-7-yloxy)-etho...)
Show SMILES COC(=O)C(Cc1ccc(OCCOc2ccc3CCCNc3c2)cc1)C(O)=O
Show InChI InChI=1S/C22H25NO6/c1-27-22(26)19(21(24)25)13-15-4-7-17(8-5-15)28-11-12-29-18-9-6-16-3-2-10-23-20(16)14-18/h4-9,14,19,23H,2-3,10-13H2,1H3,(H,24,25)
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n/an/an/an/a 90n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-alpha (PPAR alpha)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50148450
PNG
(2-{4-[2-(Naphthalen-2-yloxy)-ethoxy]-benzyl}-malon...)
Show SMILES COC(=O)C(Cc1ccc(OCCOc2ccc3ccccc3c2)cc1)C(=O)OC
Show InChI InChI=1S/C24H24O6/c1-27-23(25)22(24(26)28-2)15-17-7-10-20(11-8-17)29-13-14-30-21-12-9-18-5-3-4-6-19(18)16-21/h3-12,16,22H,13-15H2,1-2H3
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n/an/an/an/a 70n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-alpha (PPAR alpha)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50148451
PNG
(2-{4-[2-(5,6,7,8-Tetrahydro-naphthalen-2-yloxy)-et...)
Show SMILES COC(=O)C(Cc1ccc(OCCOc2ccc3CCCCc3c2)cc1)C(=O)OC
Show InChI InChI=1S/C24H28O6/c1-27-23(25)22(24(26)28-2)15-17-7-10-20(11-8-17)29-13-14-30-21-12-9-18-5-3-4-6-19(18)16-21/h7-12,16,22H,3-6,13-15H2,1-2H3
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n/an/an/an/a 3.31E+3n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-delta (PPAR delta)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor 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 140n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-alpha (PPAR alpha)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50148442
PNG
(2-{4-[2-(5,6,7,8-Tetrahydro-naphthalen-2-yloxy)-et...)
Show SMILES COC(=O)C(Cc1ccc(OCCOc2ccc3CCCCc3c2)cc1)C(O)=O
Show InChI InChI=1S/C23H26O6/c1-27-23(26)21(22(24)25)14-16-6-9-19(10-7-16)28-12-13-29-20-11-8-17-4-2-3-5-18(17)15-20/h6-11,15,21H,2-5,12-14H2,1H3,(H,24,25)
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n/an/an/an/a 2.45E+3n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-delta (PPAR delta)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50148443
PNG
(2-{4-[2-(1,2,3,4-Tetrahydro-quinolin-7-yloxy)-etho...)
Show SMILES COC(=O)C(Cc1ccc(OCCOc2ccc3CCCNc3c2)cc1)C(O)=O
Show InChI InChI=1S/C22H25NO6/c1-27-22(26)19(21(24)25)13-15-4-7-17(8-5-15)28-11-12-29-18-9-6-16-3-2-10-23-20(16)14-18/h4-9,14,19,23H,2-3,10-13H2,1H3,(H,24,25)
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n/an/an/an/a 3.09E+3n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-delta (PPAR delta)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50148451
PNG
(2-{4-[2-(5,6,7,8-Tetrahydro-naphthalen-2-yloxy)-et...)
Show SMILES COC(=O)C(Cc1ccc(OCCOc2ccc3CCCCc3c2)cc1)C(=O)OC
Show InChI InChI=1S/C24H28O6/c1-27-23(25)22(24(26)28-2)15-17-7-10-20(11-8-17)29-13-14-30-21-12-9-18-5-3-4-6-19(18)16-21/h7-12,16,22H,3-6,13-15H2,1-2H3
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n/an/an/an/a 30n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-alpha (PPAR alpha)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50148448
PNG
(2-{4-[2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-na...)
Show SMILES CC1(C)CCC(C)(C)c2cc(OCCOc3ccc(CC(C(O)=O)C(O)=O)cc3)ccc12
Show InChI InChI=1S/C26H32O6/c1-25(2)11-12-26(3,4)22-16-19(9-10-21(22)25)32-14-13-31-18-7-5-17(6-8-18)15-20(23(27)28)24(29)30/h5-10,16,20H,11-15H2,1-4H3,(H,27,28)(H,29,30)
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n/an/an/an/a 2.05E+3n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-gamma (PPAR gamma)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50148449
PNG
(2-{4-[2-(Naphthalen-2-yloxy)-ethoxy]-benzyl}-malon...)
Show SMILES NC(=O)C(Cc1ccc(OCCOc2ccc3ccccc3c2)cc1)C(O)=O
Show InChI InChI=1S/C22H21NO5/c23-21(24)20(22(25)26)13-15-5-8-18(9-6-15)27-11-12-28-19-10-7-16-3-1-2-4-17(16)14-19/h1-10,14,20H,11-13H2,(H2,23,24)(H,25,26)
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n/an/an/an/a 250n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-alpha (PPAR alpha)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50148450
PNG
(2-{4-[2-(Naphthalen-2-yloxy)-ethoxy]-benzyl}-malon...)
Show SMILES COC(=O)C(Cc1ccc(OCCOc2ccc3ccccc3c2)cc1)C(=O)OC
Show InChI InChI=1S/C24H24O6/c1-27-23(25)22(24(26)28-2)15-17-7-10-20(11-8-17)29-13-14-30-21-12-9-18-5-3-4-6-19(18)16-21/h3-12,16,22H,13-15H2,1-2H3
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Article
PubMed
n/an/an/an/a 1.27E+3n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-delta (PPAR delta)

Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%