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Compile Data Set for Download or QSAR

Found 88 hits Enz. Inhib. hit(s) with all data for entry = 50018348   
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 delta


(Homo sapiens (Human))
BDBM50194627
PNG
((R)-3-(4-(3-(2-benzoyl-4-ethylphenoxy)butoxy)-2-me...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H32O5/c1-4-22-10-14-27(26(19-22)29(32)24-8-6-5-7-9-24)34-21(3)16-17-33-25-13-11-23(20(2)18-25)12-15-28(30)31/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,30,31)/t21-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Lilly Research Laboratories

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 human PPARdelta by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194637
PNG
((R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(F)c1)Oc1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C25H24ClFO5/c1-17(13-14-30-21-10-7-18(22(27)16-21)8-12-25(28)29)31-23-11-9-19(26)15-24(23)32-20-5-3-2-4-6-20/h2-7,9-11,15-17H,8,12-14H2,1H3,(H,28,29)/t17-/m1/s1
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Lilly Research Laboratories

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 human PPARdelta by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194631
PNG
((R)-3-{4-[3-(4-ethyl-2-phenoxy-phenoxy)-butoxy]-2-...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(Oc2ccccc2)c1
Show InChI InChI=1S/C28H32O5/c1-4-22-10-14-26(27(19-22)33-24-8-6-5-7-9-24)32-21(3)16-17-31-25-13-11-23(20(2)18-25)12-15-28(29)30/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,29,30)/t21-/m1/s1
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Lilly Research Laboratories

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 human PPARdelta by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194635
PNG
((R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C26H27ClO5/c1-18-16-23(11-8-20(18)9-13-26(28)29)30-15-14-19(2)31-24-12-10-21(27)17-25(24)32-22-6-4-3-5-7-22/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,28,29)/t19-/m1/s1
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Lilly Research Laboratories

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 human PPARdelta by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194630
PNG
((R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2...)
Show SMILES CCc1cc(OCC[C@@H](C)Oc2ccc(Cl)cc2Oc2ccccc2)ccc1CCC(O)=O
Show InChI InChI=1S/C27H29ClO5/c1-3-20-17-24(12-9-21(20)10-14-27(29)30)31-16-15-19(2)32-25-13-11-22(28)18-26(25)33-23-7-5-4-6-8-23/h4-9,11-13,17-19H,3,10,14-16H2,1-2H3,(H,29,30)/t19-/m1/s1
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Lilly Research Laboratories

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 human PPARdelta by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194629
PNG
(2-{4-[3-(2-benzoyl-4-ethyl-phenoxy)-butoxy]-phenox...)
Show SMILES CCc1ccc(OC(C)CCOc2ccc(OC(C)(C)C(O)=O)cc2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H32O6/c1-5-21-11-16-26(25(19-21)27(30)22-9-7-6-8-10-22)34-20(2)17-18-33-23-12-14-24(15-13-23)35-29(3,4)28(31)32/h6-16,19-20H,5,17-18H2,1-4H3,(H,31,32)
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Lilly Research Laboratories

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 human PPARdelta by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194625
PNG
((R)-3-{2-methyl-4-[3-(2-phenoxy-4-trifluoromethoxy...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(OC(F)(F)F)cc1Oc1ccccc1
Show InChI InChI=1S/C27H27F3O6/c1-18-16-22(10-8-20(18)9-13-26(31)32)33-15-14-19(2)34-24-12-11-23(36-27(28,29)30)17-25(24)35-21-6-4-3-5-7-21/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,31,32)/t19-/m1/s1
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Lilly Research Laboratories

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 human PPARdelta by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50194627
PNG
((R)-3-(4-(3-(2-benzoyl-4-ethylphenoxy)butoxy)-2-me...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H32O5/c1-4-22-10-14-27(26(19-22)29(32)24-8-6-5-7-9-24)34-21(3)16-17-33-25-13-11-23(20(2)18-25)12-15-28(30)31/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,30,31)/t21-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


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


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194628
PNG
((R)-3-{2-methyl-4-[3-(2-phenoxy-4-trifluoromethyl-...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(cc1Oc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C27H27F3O5/c1-18-16-23(11-8-20(18)9-13-26(31)32)33-15-14-19(2)34-24-12-10-21(27(28,29)30)17-25(24)35-22-6-4-3-5-7-22/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,31,32)/t19-/m1/s1
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Lilly Research Laboratories

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 human PPARdelta by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194633
PNG
((R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(c1)C(F)(F)F)Oc1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C26H24ClF3O5/c1-17(34-23-11-9-19(27)15-24(23)35-20-5-3-2-4-6-20)13-14-33-21-10-7-18(8-12-25(31)32)22(16-21)26(28,29)30/h2-7,9-11,15-17H,8,12-14H2,1H3,(H,31,32)/t17-/m1/s1
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Lilly Research Laboratories

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 human PPARdelta by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194626
PNG
(2-(4-(3-(2-benzoyl-4-ethylphenoxy)propoxy)phenoxy)...)
Show SMILES CCc1ccc(OCCCOc2ccc(OC(C)(C)C(O)=O)cc2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C28H30O6/c1-4-20-11-16-25(24(19-20)26(29)21-9-6-5-7-10-21)33-18-8-17-32-22-12-14-23(15-13-22)34-28(2,3)27(30)31/h5-7,9-16,19H,4,8,17-18H2,1-3H3,(H,30,31)
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Lilly Research Laboratories

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 human PPARdelta by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50194628
PNG
((R)-3-{2-methyl-4-[3-(2-phenoxy-4-trifluoromethyl-...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(cc1Oc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C27H27F3O5/c1-18-16-23(11-8-20(18)9-13-26(31)32)33-15-14-19(2)34-24-12-10-21(27(28,29)30)17-25(24)35-22-6-4-3-5-7-22/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,31,32)/t19-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


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


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50194631
PNG
((R)-3-{4-[3-(4-ethyl-2-phenoxy-phenoxy)-butoxy]-2-...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(Oc2ccccc2)c1
Show InChI InChI=1S/C28H32O5/c1-4-22-10-14-26(27(19-22)33-24-8-6-5-7-9-24)32-21(3)16-17-31-25-13-11-23(20(2)18-25)12-15-28(29)30/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,29,30)/t21-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


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


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50194629
PNG
(2-{4-[3-(2-benzoyl-4-ethyl-phenoxy)-butoxy]-phenox...)
Show SMILES CCc1ccc(OC(C)CCOc2ccc(OC(C)(C)C(O)=O)cc2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H32O6/c1-5-21-11-16-26(25(19-21)27(30)22-9-7-6-8-10-22)34-20(2)17-18-33-23-12-14-24(15-13-23)35-29(3,4)28(31)32/h6-16,19-20H,5,17-18H2,1-4H3,(H,31,32)
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Lilly Research Laboratories

Curated by ChEMBL


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


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50194625
PNG
((R)-3-{2-methyl-4-[3-(2-phenoxy-4-trifluoromethoxy...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(OC(F)(F)F)cc1Oc1ccccc1
Show InChI InChI=1S/C27H27F3O6/c1-18-16-22(10-8-20(18)9-13-26(31)32)33-15-14-19(2)34-24-12-11-23(36-27(28,29)30)17-25(24)35-21-6-4-3-5-7-21/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,31,32)/t19-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


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


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194638
PNG
(3-{4-[3-(2-benzoyl-4-ethyl-phenoxy)-pentyloxy]-2-m...)
Show SMILES CCC(CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(CC)cc1C(=O)c1ccccc1
Show InChI InChI=1S/C30H34O5/c1-4-22-11-15-28(27(20-22)30(33)24-9-7-6-8-10-24)35-25(5-2)17-18-34-26-14-12-23(21(3)19-26)13-16-29(31)32/h6-12,14-15,19-20,25H,4-5,13,16-18H2,1-3H3,(H,31,32)
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Lilly Research Laboratories

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 human PPARdelta by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194634
PNG
(3-{4-[3-(2-benzoyl-4-ethyl-phenoxy)-butoxy]-2-meth...)
Show SMILES CCc1ccc(OC(C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H32O5/c1-4-22-10-14-27(26(19-22)29(32)24-8-6-5-7-9-24)34-21(3)16-17-33-25-13-11-23(20(2)18-25)12-15-28(30)31/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,30,31)
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Lilly Research Laboratories

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 human PPARdelta by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194624
PNG
(3-{4-[3-(2-benzyl-4-ethyl-phenoxy)-butoxy]-2-methy...)
Show SMILES CCc1ccc(OC(C)CCOc2ccc(CCC(O)=O)c(C)c2)c(Cc2ccccc2)c1
Show InChI InChI=1S/C29H34O4/c1-4-23-10-14-28(26(19-23)20-24-8-6-5-7-9-24)33-22(3)16-17-32-27-13-11-25(21(2)18-27)12-15-29(30)31/h5-11,13-14,18-19,22H,4,12,15-17,20H2,1-3H3,(H,30,31)
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n/an/a 8n/an/an/an/an/an/a



Lilly Research Laboratories

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 human PPARdelta by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194632
PNG
(3-{4-[3-(2-benzoyl-4-ethyl-phenoxy)-hexyloxy]-2-me...)
Show SMILES CCCC(CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(CC)cc1C(=O)c1ccccc1
Show InChI InChI=1S/C31H36O5/c1-4-9-26(18-19-35-27-15-13-24(22(3)20-27)14-17-30(32)33)36-29-16-12-23(5-2)21-28(29)31(34)25-10-7-6-8-11-25/h6-8,10-13,15-16,20-21,26H,4-5,9,14,17-19H2,1-3H3,(H,32,33)
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n/an/a 9n/an/an/an/an/an/a



Lilly Research Laboratories

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 human PPARdelta by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50194634
PNG
(3-{4-[3-(2-benzoyl-4-ethyl-phenoxy)-butoxy]-2-meth...)
Show SMILES CCc1ccc(OC(C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H32O5/c1-4-22-10-14-27(26(19-22)29(32)24-8-6-5-7-9-24)34-21(3)16-17-33-25-13-11-23(20(2)18-25)12-15-28(30)31/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,30,31)
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n/an/a 12n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50194635
PNG
((R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C26H27ClO5/c1-18-16-23(11-8-20(18)9-13-26(28)29)30-15-14-19(2)31-24-12-10-21(27)17-25(24)32-22-6-4-3-5-7-22/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,28,29)/t19-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50194638
PNG
(3-{4-[3-(2-benzoyl-4-ethyl-phenoxy)-pentyloxy]-2-m...)
Show SMILES CCC(CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(CC)cc1C(=O)c1ccccc1
Show InChI InChI=1S/C30H34O5/c1-4-22-11-15-28(27(20-22)30(33)24-9-7-6-8-10-24)35-25(5-2)17-18-34-26-14-12-23(21(3)19-26)13-16-29(31)32/h6-12,14-15,19-20,25H,4-5,13,16-18H2,1-3H3,(H,31,32)
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n/an/a 18n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50194630
PNG
((R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2...)
Show SMILES CCc1cc(OCC[C@@H](C)Oc2ccc(Cl)cc2Oc2ccccc2)ccc1CCC(O)=O
Show InChI InChI=1S/C27H29ClO5/c1-3-20-17-24(12-9-21(20)10-14-27(29)30)31-16-15-19(2)32-25-13-11-22(28)18-26(25)33-23-7-5-4-6-8-23/h4-9,11-13,17-19H,3,10,14-16H2,1-2H3,(H,29,30)/t19-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50194626
PNG
(2-(4-(3-(2-benzoyl-4-ethylphenoxy)propoxy)phenoxy)...)
Show SMILES CCc1ccc(OCCCOc2ccc(OC(C)(C)C(O)=O)cc2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C28H30O6/c1-4-20-11-16-25(24(19-20)26(29)21-9-6-5-7-10-21)33-18-8-17-32-22-12-14-23(15-13-22)34-28(2,3)27(30)31/h5-7,9-16,19H,4,8,17-18H2,1-3H3,(H,30,31)
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n/an/a 38n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50194624
PNG
(3-{4-[3-(2-benzyl-4-ethyl-phenoxy)-butoxy]-2-methy...)
Show SMILES CCc1ccc(OC(C)CCOc2ccc(CCC(O)=O)c(C)c2)c(Cc2ccccc2)c1
Show InChI InChI=1S/C29H34O4/c1-4-23-10-14-28(26(19-23)20-24-8-6-5-7-9-24)33-22(3)16-17-32-27-13-11-25(21(2)18-27)12-15-29(30)31/h5-11,13-14,18-19,22H,4,12,15-17,20H2,1-3H3,(H,30,31)
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n/an/a 59n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50194633
PNG
((R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(c1)C(F)(F)F)Oc1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C26H24ClF3O5/c1-17(34-23-11-9-19(27)15-24(23)35-20-5-3-2-4-6-20)13-14-33-21-10-7-18(8-12-25(31)32)22(16-21)26(28,29)30/h2-7,9-11,15-17H,8,12-14H2,1H3,(H,31,32)/t17-/m1/s1
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n/an/a 61n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50194637
PNG
((R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(F)c1)Oc1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C25H24ClFO5/c1-17(13-14-30-21-10-7-18(22(27)16-21)8-12-25(28)29)31-23-11-9-19(26)15-24(23)32-20-5-3-2-4-6-20/h2-7,9-11,15-17H,8,12-14H2,1H3,(H,28,29)/t17-/m1/s1
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n/an/a 63n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
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



Lilly Research Laboratories

Curated by ChEMBL


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


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194636
PNG
((S)-3-{4-[3-(2-benzoyl-4-ethyl-phenoxy)-butoxy]2-m...)
Show SMILES CCc1ccc(O[C@@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H32O5/c1-4-22-10-14-27(26(19-22)29(32)24-8-6-5-7-9-24)34-21(3)16-17-33-25-13-11-23(20(2)18-25)12-15-28(30)31/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,30,31)/t21-/m0/s1
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n/an/a 183n/an/an/an/an/an/a



Lilly Research Laboratories

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 human PPARdelta by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50194632
PNG
(3-{4-[3-(2-benzoyl-4-ethyl-phenoxy)-hexyloxy]-2-me...)
Show SMILES CCCC(CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(CC)cc1C(=O)c1ccccc1
Show InChI InChI=1S/C31H36O5/c1-4-9-26(18-19-35-27-15-13-24(22(3)20-27)14-17-30(32)33)36-29-16-12-23(5-2)21-28(29)31(34)25-10-7-6-8-11-25/h6-8,10-13,15-16,20-21,26H,4-5,9,14,17-19H2,1-3H3,(H,32,33)
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n/an/a 417n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50194625
PNG
((R)-3-{2-methyl-4-[3-(2-phenoxy-4-trifluoromethoxy...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(OC(F)(F)F)cc1Oc1ccccc1
Show InChI InChI=1S/C27H27F3O6/c1-18-16-22(10-8-20(18)9-13-26(31)32)33-15-14-19(2)34-24-12-11-23(36-27(28,29)30)17-25(24)35-21-6-4-3-5-7-21/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,31,32)/t19-/m1/s1
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n/an/a 897n/an/an/an/an/an/a



Lilly Research Laboratories

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 human PPARalpha by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50194628
PNG
((R)-3-{2-methyl-4-[3-(2-phenoxy-4-trifluoromethyl-...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(cc1Oc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C27H27F3O5/c1-18-16-23(11-8-20(18)9-13-26(31)32)33-15-14-19(2)34-24-12-10-21(27(28,29)30)17-25(24)35-22-6-4-3-5-7-22/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,31,32)/t19-/m1/s1
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n/an/a 1.04E+3n/an/an/an/an/an/a



Lilly Research Laboratories

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 human PPARalpha by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50194636
PNG
((S)-3-{4-[3-(2-benzoyl-4-ethyl-phenoxy)-butoxy]2-m...)
Show SMILES CCc1ccc(O[C@@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H32O5/c1-4-22-10-14-27(26(19-22)29(32)24-8-6-5-7-9-24)34-21(3)16-17-33-25-13-11-23(20(2)18-25)12-15-28(30)31/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,30,31)/t21-/m0/s1
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n/an/a 1.13E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50194629
PNG
(2-{4-[3-(2-benzoyl-4-ethyl-phenoxy)-butoxy]-phenox...)
Show SMILES CCc1ccc(OC(C)CCOc2ccc(OC(C)(C)C(O)=O)cc2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H32O6/c1-5-21-11-16-26(25(19-21)27(30)22-9-7-6-8-10-22)34-20(2)17-18-33-23-12-14-24(15-13-23)35-29(3,4)28(31)32/h6-16,19-20H,5,17-18H2,1-4H3,(H,31,32)
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n/an/a 1.32E+3n/an/an/an/an/an/a



Lilly Research Laboratories

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 human PPARalpha by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50194626
PNG
(2-(4-(3-(2-benzoyl-4-ethylphenoxy)propoxy)phenoxy)...)
Show SMILES CCc1ccc(OCCCOc2ccc(OC(C)(C)C(O)=O)cc2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C28H30O6/c1-4-20-11-16-25(24(19-20)26(29)21-9-6-5-7-10-21)33-18-8-17-32-22-12-14-23(15-13-22)34-28(2,3)27(30)31/h5-7,9-16,19H,4,8,17-18H2,1-3H3,(H,30,31)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Lilly Research Laboratories

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 human PPARalpha by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50194637
PNG
((R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(F)c1)Oc1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C25H24ClFO5/c1-17(13-14-30-21-10-7-18(22(27)16-21)8-12-25(28)29)31-23-11-9-19(26)15-24(23)32-20-5-3-2-4-6-20/h2-7,9-11,15-17H,8,12-14H2,1H3,(H,28,29)/t17-/m1/s1
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n/an/a 2.68E+3n/an/an/an/an/an/a



Lilly Research Laboratories

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 human PPARalpha by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50194631
PNG
((R)-3-{4-[3-(4-ethyl-2-phenoxy-phenoxy)-butoxy]-2-...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(Oc2ccccc2)c1
Show InChI InChI=1S/C28H32O5/c1-4-22-10-14-26(27(19-22)33-24-8-6-5-7-9-24)32-21(3)16-17-31-25-13-11-23(20(2)18-25)12-15-28(29)30/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,29,30)/t21-/m1/s1
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n/an/a 3.76E+3n/an/an/an/an/an/a



Lilly Research Laboratories

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 human PPARalpha by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50194627
PNG
((R)-3-(4-(3-(2-benzoyl-4-ethylphenoxy)butoxy)-2-me...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H32O5/c1-4-22-10-14-27(26(19-22)29(32)24-8-6-5-7-9-24)34-21(3)16-17-33-25-13-11-23(20(2)18-25)12-15-28(30)31/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,30,31)/t21-/m1/s1
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n/an/a 4.26E+3n/an/an/an/an/an/a



Lilly Research Laboratories

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 human PPARalpha by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50194633
PNG
((R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(c1)C(F)(F)F)Oc1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C26H24ClF3O5/c1-17(34-23-11-9-19(27)15-24(23)35-20-5-3-2-4-6-20)13-14-33-21-10-7-18(8-12-25(31)32)22(16-21)26(28,29)30/h2-7,9-11,15-17H,8,12-14H2,1H3,(H,31,32)/t17-/m1/s1
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n/an/a 4.39E+3n/an/an/an/an/an/a



Lilly Research Laboratories

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 human PPARalpha by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50194635
PNG
((R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C26H27ClO5/c1-18-16-23(11-8-20(18)9-13-26(28)29)30-15-14-19(2)31-24-12-10-21(27)17-25(24)32-22-6-4-3-5-7-22/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,28,29)/t19-/m1/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



Lilly Research Laboratories

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 human PPARalpha by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50194630
PNG
((R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2...)
Show SMILES CCc1cc(OCC[C@@H](C)Oc2ccc(Cl)cc2Oc2ccccc2)ccc1CCC(O)=O
Show InChI InChI=1S/C27H29ClO5/c1-3-20-17-24(12-9-21(20)10-14-27(29)30)31-16-15-19(2)32-25-13-11-22(28)18-26(25)33-23-7-5-4-6-8-23/h4-9,11-13,17-19H,3,10,14-16H2,1-2H3,(H,29,30)/t19-/m1/s1
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n/an/a 6.93E+3n/an/an/an/an/an/a



Lilly Research Laboratories

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 human PPARalpha by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50194634
PNG
(3-{4-[3-(2-benzoyl-4-ethyl-phenoxy)-butoxy]-2-meth...)
Show SMILES CCc1ccc(OC(C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H32O5/c1-4-22-10-14-27(26(19-22)29(32)24-8-6-5-7-9-24)34-21(3)16-17-33-25-13-11-23(20(2)18-25)12-15-28(30)31/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,30,31)
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n/an/a 8.25E+3n/an/an/an/an/an/a



Lilly Research Laboratories

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 human PPARalpha by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50194638
PNG
(3-{4-[3-(2-benzoyl-4-ethyl-phenoxy)-pentyloxy]-2-m...)
Show SMILES CCC(CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(CC)cc1C(=O)c1ccccc1
Show InChI InChI=1S/C30H34O5/c1-4-22-11-15-28(27(20-22)30(33)24-9-7-6-8-10-24)35-25(5-2)17-18-34-26-14-12-23(21(3)19-26)13-16-29(31)32/h6-12,14-15,19-20,25H,4-5,13,16-18H2,1-3H3,(H,31,32)
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n/an/a 8.92E+3n/an/an/an/an/an/a



Lilly Research Laboratories

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 human PPARalpha by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50194624
PNG
(3-{4-[3-(2-benzyl-4-ethyl-phenoxy)-butoxy]-2-methy...)
Show SMILES CCc1ccc(OC(C)CCOc2ccc(CCC(O)=O)c(C)c2)c(Cc2ccccc2)c1
Show InChI InChI=1S/C29H34O4/c1-4-23-10-14-28(26(19-23)20-24-8-6-5-7-9-24)33-22(3)16-17-32-27-13-11-25(21(2)18-27)12-15-29(30)31/h5-11,13-14,18-19,22H,4,12,15-17,20H2,1-3H3,(H,30,31)
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n/an/a 1.09E+4n/an/an/an/an/an/a



Lilly Research Laboratories

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 human PPARalpha by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50194636
PNG
((S)-3-{4-[3-(2-benzoyl-4-ethyl-phenoxy)-butoxy]2-m...)
Show SMILES CCc1ccc(O[C@@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H32O5/c1-4-22-10-14-27(26(19-22)29(32)24-8-6-5-7-9-24)34-21(3)16-17-33-25-13-11-23(20(2)18-25)12-15-28(30)31/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,30,31)/t21-/m0/s1
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n/an/an/an/a 674n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation of human PPARgamma in CV1 cells by luciferase reporter gene assay


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50194625
PNG
((R)-3-{2-methyl-4-[3-(2-phenoxy-4-trifluoromethoxy...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(OC(F)(F)F)cc1Oc1ccccc1
Show InChI InChI=1S/C27H27F3O6/c1-18-16-22(10-8-20(18)9-13-26(31)32)33-15-14-19(2)34-24-12-11-23(36-27(28,29)30)17-25(24)35-21-6-4-3-5-7-21/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,31,32)/t19-/m1/s1
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n/an/an/an/a 642n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation of human PPARalpha in CV1 cells by luciferase reporter gene assay


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50194635
PNG
((R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C26H27ClO5/c1-18-16-23(11-8-20(18)9-13-26(28)29)30-15-14-19(2)31-24-12-10-21(27)17-25(24)32-22-6-4-3-5-7-22/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,28,29)/t19-/m1/s1
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n/an/an/an/a 52n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation of human PPARgamma in CV1 cells by luciferase reporter gene assay


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194628
PNG
((R)-3-{2-methyl-4-[3-(2-phenoxy-4-trifluoromethyl-...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(cc1Oc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C27H27F3O5/c1-18-16-23(11-8-20(18)9-13-26(31)32)33-15-14-19(2)34-24-12-10-21(27(28,29)30)17-25(24)35-22-6-4-3-5-7-22/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,31,32)/t19-/m1/s1
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n/an/an/an/a 1n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation of human PPARdelta in CV1 cells by luciferase reporter gene assay


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50194625
PNG
((R)-3-{2-methyl-4-[3-(2-phenoxy-4-trifluoromethoxy...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(OC(F)(F)F)cc1Oc1ccccc1
Show InChI InChI=1S/C27H27F3O6/c1-18-16-22(10-8-20(18)9-13-26(31)32)33-15-14-19(2)34-24-12-11-23(36-27(28,29)30)17-25(24)35-21-6-4-3-5-7-21/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,31,32)/t19-/m1/s1
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n/an/an/an/a 5n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation of human PPARgamma in CV1 cells by luciferase reporter gene assay


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50194627
PNG
((R)-3-(4-(3-(2-benzoyl-4-ethylphenoxy)butoxy)-2-me...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H32O5/c1-4-22-10-14-27(26(19-22)29(32)24-8-6-5-7-9-24)34-21(3)16-17-33-25-13-11-23(20(2)18-25)12-15-28(30)31/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,30,31)/t21-/m1/s1
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n/an/an/an/a 877n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation of human PPARalpha in CV1 cells by luciferase reporter gene assay


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
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