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Compile Data Set for Download or QSAR

Found 95 hits with Last Name = 'alt' and Initial = 'ca'   
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))
BDBM50157059
PNG
((S)-3-{4-[3-(4-Benzoyl-phenoxy)-propoxy]-phenyl}-2...)
Show SMILES CO[C@@H](Cc1ccc(OCCCOc2ccc(cc2)C(=O)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C26H26O6/c1-30-24(26(28)29)18-19-8-12-22(13-9-19)31-16-5-17-32-23-14-10-21(11-15-23)25(27)20-6-3-2-4-7-20/h2-4,6-15,24H,5,16-18H2,1H3,(H,28,29)/t24-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against human peroxisome proliferator-activated receptor gamma


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50157055
PNG
((S)-3-{4-[3-(4-Benzoyl-phenoxy)-propoxy]-3-chloro-...)
Show SMILES CO[C@@H](Cc1ccc(OCCCOc2ccc(cc2)C(=O)c2ccccc2)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C26H25ClO6/c1-31-24(26(29)30)17-18-8-13-23(22(27)16-18)33-15-5-14-32-21-11-9-20(10-12-21)25(28)19-6-3-2-4-7-19/h2-4,6-13,16,24H,5,14-15,17H2,1H3,(H,29,30)/t24-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against human peroxisome proliferator-activated receptor gamma


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50157057
PNG
((S)-2-Methoxy-3-{4-[5-(4-phenoxy-phenoxy)-pent-1-y...)
Show SMILES CO[C@@H](Cc1ccc(cc1)C#CCCCOc1ccc(Oc2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C27H26O5/c1-30-26(27(28)29)20-22-13-11-21(12-14-22)8-4-3-7-19-31-23-15-17-25(18-16-23)32-24-9-5-2-6-10-24/h2,5-6,9-18,26H,3,7,19-20H2,1H3,(H,28,29)/t26-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against human peroxisome proliferator-activated receptor gamma


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50157058
PNG
((S)-2-Methoxy-3-{3-methoxy-4-[3-(4-phenoxy-phenoxy...)
Show SMILES CO[C@@H](Cc1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)c(OC)c1)C(O)=O
Show InChI InChI=1S/C26H28O7/c1-29-24-17-19(18-25(30-2)26(27)28)9-14-23(24)32-16-6-15-31-20-10-12-22(13-11-20)33-21-7-4-3-5-8-21/h3-5,7-14,17,25H,6,15-16,18H2,1-2H3,(H,27,28)/t25-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against human peroxisome proliferator-activated receptor gamma


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50157060
PNG
((S)-2-Methoxy-3-{4-[4-(4-phenoxy-phenoxy)-but-1-yn...)
Show SMILES CO[C@@H](Cc1ccc(cc1)C#CCCOc1ccc(Oc2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C26H24O5/c1-29-25(26(27)28)19-21-12-10-20(11-13-21)7-5-6-18-30-22-14-16-24(17-15-22)31-23-8-3-2-4-9-23/h2-4,8-17,25H,6,18-19H2,1H3,(H,27,28)/t25-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against human peroxisome proliferator-activated receptor gamma


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195711
PNG
(3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)-2-((...)
Show SMILES Cc1oc(nc1CCOc1ccc(CCC(O)=O)c(CNC(=O)Oc2cnccn2)c1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O6/c1-18-23(31-26(36-18)20-5-3-2-4-6-20)11-14-35-22-9-7-19(8-10-25(32)33)21(15-22)16-30-27(34)37-24-17-28-12-13-29-24/h2-7,9,12-13,15,17H,8,10-11,14,16H2,1H3,(H,30,34)(H,32,33)
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n/an/a 17n/an/an/an/an/an/a



Eli Lilly and Co

Curated by ChEMBL


Assay Description
Displacement of [3H]2-methyl-2-(4-{3-propyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-pro-pyl}-phenoxy)-propionic acid from human PPARgamma


Bioorg Med Chem Lett 16: 6328-33 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.011
BindingDB Entry DOI: 10.7270/Q2PK0FSC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50157061
PNG
((S)-3-{4-[3-(Biphenyl-4-yloxy)-propoxy]-phenyl}-2-...)
Show SMILES CO[C@@H](Cc1ccc(OCCCOc2ccc(cc2)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C25H26O5/c1-28-24(25(26)27)18-19-8-12-22(13-9-19)29-16-5-17-30-23-14-10-21(11-15-23)20-6-3-2-4-7-20/h2-4,6-15,24H,5,16-18H2,1H3,(H,26,27)/t24-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against human peroxisome proliferator-activated receptor gamma


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195708
PNG
(3-(2-((isopropoxycarbonyl)methyl)-4-(2-(5-methyl-2...)
Show SMILES CC(C)OC(=O)NCc1cc(OCCc2nc(sc2C)N2CCOCC2)ccc1CCC(O)=O
Show InChI InChI=1S/C24H33N3O6S/c1-16(2)33-24(30)25-15-19-14-20(6-4-18(19)5-7-22(28)29)32-11-8-21-17(3)34-23(26-21)27-9-12-31-13-10-27/h4,6,14,16H,5,7-13,15H2,1-3H3,(H,25,30)(H,28,29)
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n/an/a 22n/an/an/an/an/an/a



Eli Lilly and Co

Curated by ChEMBL


Assay Description
Displacement of [3H]2-methyl-2-(4-{3-propyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-pro-pyl}-phenoxy)-propionic acid from human PPARgamma


Bioorg Med Chem Lett 16: 6328-33 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.011
BindingDB Entry DOI: 10.7270/Q2PK0FSC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195716
PNG
(3-{4-[2-(2-biphenyl-4-yl-5-methyl-oxazol-4-yl)-eth...)
Show SMILES Cc1oc(nc1CCOc1ccc(CCC(O)=O)c(CNC(=O)Oc2cnccn2)c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C33H30N4O6/c1-22-29(37-32(42-22)26-9-7-24(8-10-26)23-5-3-2-4-6-23)15-18-41-28-13-11-25(12-14-31(38)39)27(19-28)20-36-33(40)43-30-21-34-16-17-35-30/h2-11,13,16-17,19,21H,12,14-15,18,20H2,1H3,(H,36,40)(H,38,39)
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n/an/a 26n/an/an/an/an/an/a



Eli Lilly and Co

Curated by ChEMBL


Assay Description
Displacement of [3H]2-methyl-2-(4-{3-propyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-pro-pyl}-phenoxy)-propionic acid from human PPARgamma


Bioorg Med Chem Lett 16: 6328-33 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.011
BindingDB Entry DOI: 10.7270/Q2PK0FSC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195714
PNG
(3-(2-((isopropoxycarbonyl)methyl)-4-(2-(5-methyl-2...)
Show SMILES CC(C)OC(=O)NCc1cc(OCCc2nc(oc2C)-c2ccccc2)ccc1CCC(O)=O
Show InChI InChI=1S/C26H30N2O6/c1-17(2)33-26(31)27-16-21-15-22(11-9-19(21)10-12-24(29)30)32-14-13-23-18(3)34-25(28-23)20-7-5-4-6-8-20/h4-9,11,15,17H,10,12-14,16H2,1-3H3,(H,27,31)(H,29,30)
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n/an/a 26n/an/an/an/an/an/a



Eli Lilly and Co

Curated by ChEMBL


Assay Description
Displacement of [3H]2-methyl-2-(4-{3-propyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-pro-pyl}-phenoxy)-propionic acid from human PPARgamma


Bioorg Med Chem Lett 16: 6328-33 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.011
BindingDB Entry DOI: 10.7270/Q2PK0FSC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50157056
PNG
((S)-2-Methoxy-3-{4-[3-(4-phenoxy-phenoxy)-propoxy]...)
Show SMILES CO[C@@H](Cc1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1)C(O)=O
Show InChI InChI=1S/C25H26O6/c1-28-24(25(26)27)18-19-8-10-20(11-9-19)29-16-5-17-30-21-12-14-23(15-13-21)31-22-6-3-2-4-7-22/h2-4,6-15,24H,5,16-18H2,1H3,(H,26,27)/t24-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against human peroxisome proliferator-activated receptor gamma


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50157054
PNG
((S)-2-Ethoxy-3-{4-[3-(4-phenoxy-phenoxy)-propoxy]-...)
Show SMILES CCO[C@@H](Cc1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1)C(O)=O
Show InChI InChI=1S/C26H28O6/c1-2-29-25(26(27)28)19-20-9-11-21(12-10-20)30-17-6-18-31-22-13-15-24(16-14-22)32-23-7-4-3-5-8-23/h3-5,7-16,25H,2,6,17-19H2,1H3,(H,27,28)/t25-/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against human peroxisome proliferator-activated receptor gamma


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195702
PNG
(3-[4-[2-(2-biphenyl-4-yl-5-methyl-oxazol-4-yl)-eth...)
Show SMILES CC(C)OC(=O)NCc1cc(OCCc2nc(oc2C)-c2ccc(cc2)-c2ccccc2)ccc1CCC(O)=O
Show InChI InChI=1S/C32H34N2O6/c1-21(2)39-32(37)33-20-27-19-28(15-13-25(27)14-16-30(35)36)38-18-17-29-22(3)40-31(34-29)26-11-9-24(10-12-26)23-7-5-4-6-8-23/h4-13,15,19,21H,14,16-18,20H2,1-3H3,(H,33,37)(H,35,36)
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n/an/a 47n/an/an/an/an/an/a



Eli Lilly and Co

Curated by ChEMBL


Assay Description
Displacement of [3H]2-methyl-2-(4-{3-propyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-pro-pyl}-phenoxy)-propionic acid from human PPARgamma


Bioorg Med Chem Lett 16: 6328-33 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.011
BindingDB Entry DOI: 10.7270/Q2PK0FSC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195713
PNG
(3-(2-((isopropoxycarbonyl)methyl)-4-(2-(5-methyl-2...)
Show SMILES CC(C)OC(=O)NCc1cc(OCCc2nc(oc2C)-c2ccc(cc2)-c2ncccn2)ccc1CCC(O)=O
Show InChI InChI=1S/C30H32N4O6/c1-19(2)39-30(37)33-18-24-17-25(11-9-21(24)10-12-27(35)36)38-16-13-26-20(3)40-29(34-26)23-7-5-22(6-8-23)28-31-14-4-15-32-28/h4-9,11,14-15,17,19H,10,12-13,16,18H2,1-3H3,(H,33,37)(H,35,36)
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n/an/a 50n/an/an/an/an/an/a



Eli Lilly and Co

Curated by ChEMBL


Assay Description
Displacement of [3H]2-methyl-2-(4-{3-propyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-pro-pyl}-phenoxy)-propionic acid from human PPARgamma


Bioorg Med Chem Lett 16: 6328-33 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.011
BindingDB Entry DOI: 10.7270/Q2PK0FSC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195715
PNG
(3-(2-((isopropoxycarbonyl)methyl)-4-(2-(5-methyl-2...)
Show SMILES CC(C)OC(=O)NCc1cc(OCCc2nc(oc2C)-c2ccc(Oc3ccccc3)cc2)ccc1CCC(O)=O
Show InChI InChI=1S/C32H34N2O7/c1-21(2)39-32(37)33-20-25-19-28(15-9-23(25)12-16-30(35)36)38-18-17-29-22(3)40-31(34-29)24-10-13-27(14-11-24)41-26-7-5-4-6-8-26/h4-11,13-15,19,21H,12,16-18,20H2,1-3H3,(H,33,37)(H,35,36)
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Eli Lilly and Co

Curated by ChEMBL


Assay Description
Displacement of [3H]2-methyl-2-(4-{3-propyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-pro-pyl}-phenoxy)-propionic acid from human PPARgamma


Bioorg Med Chem Lett 16: 6328-33 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.011
BindingDB Entry DOI: 10.7270/Q2PK0FSC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195711
PNG
(3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)-2-((...)
Show SMILES Cc1oc(nc1CCOc1ccc(CCC(O)=O)c(CNC(=O)Oc2cnccn2)c1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O6/c1-18-23(31-26(36-18)20-5-3-2-4-6-20)11-14-35-22-9-7-19(8-10-25(32)33)21(15-22)16-30-27(34)37-24-17-28-12-13-29-24/h2-7,9,12-13,15,17H,8,10-11,14,16H2,1H3,(H,30,34)(H,32,33)
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n/an/a 53n/an/an/an/an/an/a



Eli Lilly and Co

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from hPPARalpha


Bioorg Med Chem Lett 16: 6328-33 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.011
BindingDB Entry DOI: 10.7270/Q2PK0FSC
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/a 67n/an/an/an/an/an/a



Eli Lilly and Co

Curated by ChEMBL


Assay Description
Displacement of [3H]2-methyl-2-(4-{3-propyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-pro-pyl}-phenoxy)-propionic acid from human PPARgamma


Bioorg Med Chem Lett 16: 6328-33 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.011
BindingDB Entry DOI: 10.7270/Q2PK0FSC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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/a 70n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against human peroxisome proliferator-activated receptor gamma


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195707
PNG
(3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)-2-((...)
Show SMILES Cc1oc(nc1CCOc1ccc(CCC(O)=O)c(CNS(=O)(=O)Cc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C29H30N2O6S/c1-21-27(31-29(37-21)24-10-6-3-7-11-24)16-17-36-26-14-12-23(13-15-28(32)33)25(18-26)19-30-38(34,35)20-22-8-4-2-5-9-22/h2-12,14,18,30H,13,15-17,19-20H2,1H3,(H,32,33)
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n/an/a 72n/an/an/an/an/an/a



Eli Lilly and Co

Curated by ChEMBL


Assay Description
Displacement of [3H]2-methyl-2-(4-{3-propyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-pro-pyl}-phenoxy)-propionic acid from human PPARgamma


Bioorg Med Chem Lett 16: 6328-33 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.011
BindingDB Entry DOI: 10.7270/Q2PK0FSC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195710
PNG
(3-(2-((benzyloxycarbonyl)methyl)-4-(2-(5-methyl-2-...)
Show SMILES Cc1oc(nc1CCOc1ccc(CCC(O)=O)c(CNC(=O)OCc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C30H30N2O6/c1-21-27(32-29(38-21)24-10-6-3-7-11-24)16-17-36-26-14-12-23(13-15-28(33)34)25(18-26)19-31-30(35)37-20-22-8-4-2-5-9-22/h2-12,14,18H,13,15-17,19-20H2,1H3,(H,31,35)(H,33,34)
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n/an/a 91n/an/an/an/an/an/a



Eli Lilly and Co

Curated by ChEMBL


Assay Description
Displacement of [3H]2-methyl-2-(4-{3-propyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-pro-pyl}-phenoxy)-propionic acid from human PPARgamma


Bioorg Med Chem Lett 16: 6328-33 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.011
BindingDB Entry DOI: 10.7270/Q2PK0FSC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195714
PNG
(3-(2-((isopropoxycarbonyl)methyl)-4-(2-(5-methyl-2...)
Show SMILES CC(C)OC(=O)NCc1cc(OCCc2nc(oc2C)-c2ccccc2)ccc1CCC(O)=O
Show InChI InChI=1S/C26H30N2O6/c1-17(2)33-26(31)27-16-21-15-22(11-9-19(21)10-12-24(29)30)32-14-13-23-18(3)34-25(28-23)20-7-5-4-6-8-20/h4-9,11,15,17H,10,12-14,16H2,1-3H3,(H,27,31)(H,29,30)
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n/an/a 146n/an/an/an/an/an/a



Eli Lilly and Co

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from hPPARalpha


Bioorg Med Chem Lett 16: 6328-33 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.011
BindingDB Entry DOI: 10.7270/Q2PK0FSC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195712
PNG
(3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)-2-((...)
Show SMILES Cc1oc(nc1CCOc1ccc(CCC(O)=O)c(CNC(=O)CCc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C31H32N2O5/c1-22-28(33-31(38-22)25-10-6-3-7-11-25)18-19-37-27-15-13-24(14-17-30(35)36)26(20-27)21-32-29(34)16-12-23-8-4-2-5-9-23/h2-11,13,15,20H,12,14,16-19,21H2,1H3,(H,32,34)(H,35,36)
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n/an/a 161n/an/an/an/an/an/a



Eli Lilly and Co

Curated by ChEMBL


Assay Description
Displacement of [3H]2-methyl-2-(4-{3-propyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-pro-pyl}-phenoxy)-propionic acid from human PPARgamma


Bioorg Med Chem Lett 16: 6328-33 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.011
BindingDB Entry DOI: 10.7270/Q2PK0FSC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50157055
PNG
((S)-3-{4-[3-(4-Benzoyl-phenoxy)-propoxy]-3-chloro-...)
Show SMILES CO[C@@H](Cc1ccc(OCCCOc2ccc(cc2)C(=O)c2ccccc2)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C26H25ClO6/c1-31-24(26(29)30)17-18-8-13-23(22(27)16-18)33-15-5-14-32-21-11-9-20(10-12-21)25(28)19-6-3-2-4-7-19/h2-4,6-13,16,24H,5,14-15,17H2,1H3,(H,29,30)/t24-/m0/s1
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n/an/a 309n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against human peroxisome proliferator activated receptor alpha


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195710
PNG
(3-(2-((benzyloxycarbonyl)methyl)-4-(2-(5-methyl-2-...)
Show SMILES Cc1oc(nc1CCOc1ccc(CCC(O)=O)c(CNC(=O)OCc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C30H30N2O6/c1-21-27(32-29(38-21)24-10-6-3-7-11-24)16-17-36-26-14-12-23(13-15-28(33)34)25(18-26)19-31-30(35)37-20-22-8-4-2-5-9-22/h2-12,14,18H,13,15-17,19-20H2,1H3,(H,31,35)(H,33,34)
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n/an/a 441n/an/an/an/an/an/a



Eli Lilly and Co

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from hPPARalpha


Bioorg Med Chem Lett 16: 6328-33 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.011
BindingDB Entry DOI: 10.7270/Q2PK0FSC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195716
PNG
(3-{4-[2-(2-biphenyl-4-yl-5-methyl-oxazol-4-yl)-eth...)
Show SMILES Cc1oc(nc1CCOc1ccc(CCC(O)=O)c(CNC(=O)Oc2cnccn2)c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C33H30N4O6/c1-22-29(37-32(42-22)26-9-7-24(8-10-26)23-5-3-2-4-6-23)15-18-41-28-13-11-25(12-14-31(38)39)27(19-28)20-36-33(40)43-30-21-34-16-17-35-30/h2-11,13,16-17,19,21H,12,14-15,18,20H2,1H3,(H,36,40)(H,38,39)
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n/an/a 449n/an/an/an/an/an/a



Eli Lilly and Co

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from hPPARalpha


Bioorg Med Chem Lett 16: 6328-33 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.011
BindingDB Entry DOI: 10.7270/Q2PK0FSC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50157059
PNG
((S)-3-{4-[3-(4-Benzoyl-phenoxy)-propoxy]-phenyl}-2...)
Show SMILES CO[C@@H](Cc1ccc(OCCCOc2ccc(cc2)C(=O)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C26H26O6/c1-30-24(26(28)29)18-19-8-12-22(13-9-19)31-16-5-17-32-23-14-10-21(11-15-23)25(27)20-6-3-2-4-7-20/h2-4,6-15,24H,5,16-18H2,1H3,(H,28,29)/t24-/m0/s1
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n/an/a 470n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against human peroxisome proliferator activated receptor alpha


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195715
PNG
(3-(2-((isopropoxycarbonyl)methyl)-4-(2-(5-methyl-2...)
Show SMILES CC(C)OC(=O)NCc1cc(OCCc2nc(oc2C)-c2ccc(Oc3ccccc3)cc2)ccc1CCC(O)=O
Show InChI InChI=1S/C32H34N2O7/c1-21(2)39-32(37)33-20-25-19-28(15-9-23(25)12-16-30(35)36)38-18-17-29-22(3)40-31(34-29)24-10-13-27(14-11-24)41-26-7-5-4-6-8-26/h4-11,13-15,19,21H,12,16-18,20H2,1-3H3,(H,33,37)(H,35,36)
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n/an/a 516n/an/an/an/an/an/a



Eli Lilly and Co

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from hPPARalpha


Bioorg Med Chem Lett 16: 6328-33 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.011
BindingDB Entry DOI: 10.7270/Q2PK0FSC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50157061
PNG
((S)-3-{4-[3-(Biphenyl-4-yloxy)-propoxy]-phenyl}-2-...)
Show SMILES CO[C@@H](Cc1ccc(OCCCOc2ccc(cc2)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C25H26O5/c1-28-24(25(26)27)18-19-8-12-22(13-9-19)29-16-5-17-30-23-14-10-21(11-15-23)20-6-3-2-4-7-20/h2-4,6-15,24H,5,16-18H2,1H3,(H,26,27)/t24-/m0/s1
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n/an/a 568n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against human peroxisome proliferator activated receptor alpha


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195709
PNG
(3-(2-((3-benzylureido)methyl)-4-(2-(5-methyl-2-phe...)
Show SMILES Cc1oc(nc1CCOc1ccc(CCC(O)=O)c(CNC(=O)NCc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C30H31N3O5/c1-21-27(33-29(38-21)24-10-6-3-7-11-24)16-17-37-26-14-12-23(13-15-28(34)35)25(18-26)20-32-30(36)31-19-22-8-4-2-5-9-22/h2-12,14,18H,13,15-17,19-20H2,1H3,(H,34,35)(H2,31,32,36)
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n/an/a 706n/an/an/an/an/an/a



Eli Lilly and Co

Curated by ChEMBL


Assay Description
Displacement of [3H]2-methyl-2-(4-{3-propyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-pro-pyl}-phenoxy)-propionic acid from human PPARgamma


Bioorg Med Chem Lett 16: 6328-33 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.011
BindingDB Entry DOI: 10.7270/Q2PK0FSC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50157057
PNG
((S)-2-Methoxy-3-{4-[5-(4-phenoxy-phenoxy)-pent-1-y...)
Show SMILES CO[C@@H](Cc1ccc(cc1)C#CCCCOc1ccc(Oc2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C27H26O5/c1-30-26(27(28)29)20-22-13-11-21(12-14-22)8-4-3-7-19-31-23-15-17-25(18-16-23)32-24-9-5-2-6-10-24/h2,5-6,9-18,26H,3,7,19-20H2,1H3,(H,28,29)/t26-/m0/s1
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n/an/a 770n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against human peroxisome proliferator activated receptor alpha


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50157060
PNG
((S)-2-Methoxy-3-{4-[4-(4-phenoxy-phenoxy)-but-1-yn...)
Show SMILES CO[C@@H](Cc1ccc(cc1)C#CCCOc1ccc(Oc2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C26H24O5/c1-29-25(26(27)28)19-21-12-10-20(11-13-21)7-5-6-18-30-22-14-16-24(17-15-22)31-23-8-3-2-4-9-23/h2-4,8-17,25H,6,18-19H2,1H3,(H,27,28)/t25-/m0/s1
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n/an/a 1.15E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against human peroxisome proliferator activated receptor alpha


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50157058
PNG
((S)-2-Methoxy-3-{3-methoxy-4-[3-(4-phenoxy-phenoxy...)
Show SMILES CO[C@@H](Cc1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)c(OC)c1)C(O)=O
Show InChI InChI=1S/C26H28O7/c1-29-24-17-19(18-25(30-2)26(27)28)9-14-23(24)32-16-6-15-31-20-10-12-22(13-11-20)33-21-7-4-3-5-8-21/h3-5,7-14,17,25H,6,15-16,18H2,1-2H3,(H,27,28)/t25-/m0/s1
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n/an/a 1.35E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against human peroxisome proliferator activated receptor alpha


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50157061
PNG
((S)-3-{4-[3-(Biphenyl-4-yloxy)-propoxy]-phenyl}-2-...)
Show SMILES CO[C@@H](Cc1ccc(OCCCOc2ccc(cc2)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C25H26O5/c1-28-24(25(26)27)18-19-8-12-22(13-9-19)29-16-5-17-30-23-14-10-21(11-15-23)20-6-3-2-4-7-20/h2-4,6-15,24H,5,16-18H2,1H3,(H,26,27)/t24-/m0/s1
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n/an/a 1.39E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against human peroxisome proliferator-activated receptor delta


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195708
PNG
(3-(2-((isopropoxycarbonyl)methyl)-4-(2-(5-methyl-2...)
Show SMILES CC(C)OC(=O)NCc1cc(OCCc2nc(sc2C)N2CCOCC2)ccc1CCC(O)=O
Show InChI InChI=1S/C24H33N3O6S/c1-16(2)33-24(30)25-15-19-14-20(6-4-18(19)5-7-22(28)29)32-11-8-21-17(3)34-23(26-21)27-9-12-31-13-10-27/h4,6,14,16H,5,7-13,15H2,1-3H3,(H,25,30)(H,28,29)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Eli Lilly and Co

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from hPPARalpha


Bioorg Med Chem Lett 16: 6328-33 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.011
BindingDB Entry DOI: 10.7270/Q2PK0FSC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50157055
PNG
((S)-3-{4-[3-(4-Benzoyl-phenoxy)-propoxy]-3-chloro-...)
Show SMILES CO[C@@H](Cc1ccc(OCCCOc2ccc(cc2)C(=O)c2ccccc2)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C26H25ClO6/c1-31-24(26(29)30)17-18-8-13-23(22(27)16-18)33-15-5-14-32-21-11-9-20(10-12-21)25(28)19-6-3-2-4-7-19/h2-4,6-13,16,24H,5,14-15,17H2,1H3,(H,29,30)/t24-/m0/s1
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n/an/a 1.51E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against human peroxisome proliferator-activated receptor delta


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50157054
PNG
((S)-2-Ethoxy-3-{4-[3-(4-phenoxy-phenoxy)-propoxy]-...)
Show SMILES CCO[C@@H](Cc1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1)C(O)=O
Show InChI InChI=1S/C26H28O6/c1-2-29-25(26(27)28)19-20-9-11-21(12-10-20)30-17-6-18-31-22-13-15-24(16-14-22)32-23-7-4-3-5-8-23/h3-5,7-16,25H,2,6,17-19H2,1H3,(H,27,28)/t25-/m0/s1
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n/an/a 1.57E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against human peroxisome proliferator-activated receptor delta


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50157054
PNG
((S)-2-Ethoxy-3-{4-[3-(4-phenoxy-phenoxy)-propoxy]-...)
Show SMILES CCO[C@@H](Cc1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1)C(O)=O
Show InChI InChI=1S/C26H28O6/c1-2-29-25(26(27)28)19-20-9-11-21(12-10-20)30-17-6-18-31-22-13-15-24(16-14-22)32-23-7-4-3-5-8-23/h3-5,7-16,25H,2,6,17-19H2,1H3,(H,27,28)/t25-/m0/s1
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n/an/a 1.69E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against human peroxisome proliferator activated receptor alpha


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50157056
PNG
((S)-2-Methoxy-3-{4-[3-(4-phenoxy-phenoxy)-propoxy]...)
Show SMILES CO[C@@H](Cc1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1)C(O)=O
Show InChI InChI=1S/C25H26O6/c1-28-24(25(26)27)18-19-8-10-20(11-9-19)29-16-5-17-30-21-12-14-23(15-13-21)31-22-6-3-2-4-7-22/h2-4,6-15,24H,5,16-18H2,1H3,(H,26,27)/t24-/m0/s1
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n/an/a 1.92E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against human peroxisome proliferator-activated receptor delta


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50157059
PNG
((S)-3-{4-[3-(4-Benzoyl-phenoxy)-propoxy]-phenyl}-2...)
Show SMILES CO[C@@H](Cc1ccc(OCCCOc2ccc(cc2)C(=O)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C26H26O6/c1-30-24(26(28)29)18-19-8-12-22(13-9-19)31-16-5-17-32-23-14-10-21(11-15-23)25(27)20-6-3-2-4-7-20/h2-4,6-15,24H,5,16-18H2,1H3,(H,28,29)/t24-/m0/s1
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n/an/a 2.32E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against human peroxisome proliferator-activated receptor delta


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50157056
PNG
((S)-2-Methoxy-3-{4-[3-(4-phenoxy-phenoxy)-propoxy]...)
Show SMILES CO[C@@H](Cc1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1)C(O)=O
Show InChI InChI=1S/C25H26O6/c1-28-24(25(26)27)18-19-8-10-20(11-9-19)29-16-5-17-30-21-12-14-23(15-13-21)31-22-6-3-2-4-7-22/h2-4,6-15,24H,5,16-18H2,1H3,(H,26,27)/t24-/m0/s1
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n/an/a 2.71E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against human peroxisome proliferator activated receptor alpha


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195707
PNG
(3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)-2-((...)
Show SMILES Cc1oc(nc1CCOc1ccc(CCC(O)=O)c(CNS(=O)(=O)Cc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C29H30N2O6S/c1-21-27(31-29(37-21)24-10-6-3-7-11-24)16-17-36-26-14-12-23(13-15-28(32)33)25(18-26)19-30-38(34,35)20-22-8-4-2-5-9-22/h2-12,14,18,30H,13,15-17,19-20H2,1H3,(H,32,33)
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n/an/a 3.39E+3n/an/an/an/an/an/a



Eli Lilly and Co

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from hPPARalpha


Bioorg Med Chem Lett 16: 6328-33 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.011
BindingDB Entry DOI: 10.7270/Q2PK0FSC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195702
PNG
(3-[4-[2-(2-biphenyl-4-yl-5-methyl-oxazol-4-yl)-eth...)
Show SMILES CC(C)OC(=O)NCc1cc(OCCc2nc(oc2C)-c2ccc(cc2)-c2ccccc2)ccc1CCC(O)=O
Show InChI InChI=1S/C32H34N2O6/c1-21(2)39-32(37)33-20-27-19-28(15-13-25(27)14-16-30(35)36)38-18-17-29-22(3)40-31(34-29)26-11-9-24(10-12-26)23-7-5-4-6-8-23/h4-13,15,19,21H,14,16-18,20H2,1-3H3,(H,33,37)(H,35,36)
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n/an/a 3.49E+3n/an/an/an/an/an/a



Eli Lilly and Co

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from hPPARalpha


Bioorg Med Chem Lett 16: 6328-33 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.011
BindingDB Entry DOI: 10.7270/Q2PK0FSC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50157060
PNG
((S)-2-Methoxy-3-{4-[4-(4-phenoxy-phenoxy)-but-1-yn...)
Show SMILES CO[C@@H](Cc1ccc(cc1)C#CCCOc1ccc(Oc2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C26H24O5/c1-29-25(26(27)28)19-21-12-10-20(11-13-21)7-5-6-18-30-22-14-16-24(17-15-22)31-23-8-3-2-4-9-23/h2-4,8-17,25H,6,18-19H2,1H3,(H,27,28)/t25-/m0/s1
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n/an/a 3.94E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against human peroxisome proliferator-activated receptor delta


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50157057
PNG
((S)-2-Methoxy-3-{4-[5-(4-phenoxy-phenoxy)-pent-1-y...)
Show SMILES CO[C@@H](Cc1ccc(cc1)C#CCCCOc1ccc(Oc2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C27H26O5/c1-30-26(27(28)29)20-22-13-11-21(12-14-22)8-4-3-7-19-31-23-15-17-25(18-16-23)32-24-9-5-2-6-10-24/h2,5-6,9-18,26H,3,7,19-20H2,1H3,(H,28,29)/t26-/m0/s1
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n/an/a 4.12E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against human peroxisome proliferator-activated receptor delta


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195712
PNG
(3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)-2-((...)
Show SMILES Cc1oc(nc1CCOc1ccc(CCC(O)=O)c(CNC(=O)CCc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C31H32N2O5/c1-22-28(33-31(38-22)25-10-6-3-7-11-25)18-19-37-27-15-13-24(14-17-30(35)36)26(20-27)21-32-29(34)16-12-23-8-4-2-5-9-23/h2-11,13,15,20H,12,14,16-19,21H2,1H3,(H,32,34)(H,35,36)
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n/an/a 4.96E+3n/an/an/an/an/an/a



Eli Lilly and Co

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from hPPARalpha


Bioorg Med Chem Lett 16: 6328-33 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.011
BindingDB Entry DOI: 10.7270/Q2PK0FSC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50157058
PNG
((S)-2-Methoxy-3-{3-methoxy-4-[3-(4-phenoxy-phenoxy...)
Show SMILES CO[C@@H](Cc1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)c(OC)c1)C(O)=O
Show InChI InChI=1S/C26H28O7/c1-29-24-17-19(18-25(30-2)26(27)28)9-14-23(24)32-16-6-15-31-20-10-12-22(13-11-20)33-21-7-4-3-5-8-21/h3-5,7-14,17,25H,6,15-16,18H2,1-2H3,(H,27,28)/t25-/m0/s1
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n/an/a 7.50E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against human peroxisome proliferator-activated receptor delta


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195713
PNG
(3-(2-((isopropoxycarbonyl)methyl)-4-(2-(5-methyl-2...)
Show SMILES CC(C)OC(=O)NCc1cc(OCCc2nc(oc2C)-c2ccc(cc2)-c2ncccn2)ccc1CCC(O)=O
Show InChI InChI=1S/C30H32N4O6/c1-19(2)39-30(37)33-18-24-17-25(11-9-21(24)10-12-27(35)36)38-16-13-26-20(3)40-29(34-26)23-7-5-22(6-8-23)28-31-14-4-15-32-28/h4-9,11,14-15,17,19H,10,12-13,16,18H2,1-3H3,(H,33,37)(H,35,36)
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n/an/a 9.94E+3n/an/an/an/an/an/a



Eli Lilly and Co

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from hPPARalpha


Bioorg Med Chem Lett 16: 6328-33 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.011
BindingDB Entry DOI: 10.7270/Q2PK0FSC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195709
PNG
(3-(2-((3-benzylureido)methyl)-4-(2-(5-methyl-2-phe...)
Show SMILES Cc1oc(nc1CCOc1ccc(CCC(O)=O)c(CNC(=O)NCc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C30H31N3O5/c1-21-27(33-29(38-21)24-10-6-3-7-11-24)16-17-37-26-14-12-23(13-15-28(34)35)25(18-26)20-32-30(36)31-19-22-8-4-2-5-9-22/h2-12,14,18H,13,15-17,19-20H2,1H3,(H,34,35)(H2,31,32,36)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Eli Lilly and Co

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from hPPARalpha


Bioorg Med Chem Lett 16: 6328-33 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.011
BindingDB Entry DOI: 10.7270/Q2PK0FSC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM28700
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...)
Show SMILES CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Eli Lilly and Co

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from hPPARalpha


Bioorg Med Chem Lett 16: 6328-33 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.011
BindingDB Entry DOI: 10.7270/Q2PK0FSC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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/a>1.00E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against human peroxisome proliferator activated receptor alpha


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair
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