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7 similar compounds to monomer 50194627

Compile data set for download or QSAR
Wt: 446.5
BDBM50194624
Wt: 488.6
BDBM50194632
Wt: 460.5
BDBM50194634
Wt: 460.5
BDBM50194636
Wt: 474.5
BDBM50194638
Wt: 474.5
BDBM50385194
Wt: 446.5
BDBM50385184

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 50194624,50194632,50194634,50194636,50194638,50385194,50385184   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
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 delta


(Homo sapiens (Human))
BDBM50385194
PNG
(CHEMBL2037004)
Show SMILES CC[C@H](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)/t25-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(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/an/an/a 9n/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))
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 339n/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 alpha (PPAR 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


(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


(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/an/an/a 968n/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


(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 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 alpha (PPAR 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 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


(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 (PPAR 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 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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n/an/an/an/a 7n/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


(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/an/an/a 46n/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


(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 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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n/an/a 6n/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 alpha (PPAR 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/an/an/a 1.53E+3n/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 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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n/an/a 7n/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))
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


(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/an/an/a 228n/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 (PPAR 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/an/an/a 2.93E+3n/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 alpha (PPAR 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/an/an/a 2.81E+3n/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 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/an/an/a 70n/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 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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n/an/an/an/a 25n/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 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/an/an/a 52n/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 alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50385184
PNG
(CHEMBL2036997)
Show SMILES CCc1ccc(O[C@H](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)/t22-/m1/s1
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n/an/a 1.09E+4n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50385184
PNG
(CHEMBL2036997)
Show SMILES CCc1ccc(O[C@H](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)/t22-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50385184
PNG
(CHEMBL2036997)
Show SMILES CCc1ccc(O[C@H](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)/t22-/m1/s1
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n/an/a 59.0n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50385194
PNG
(CHEMBL2037004)
Show SMILES CC[C@H](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)/t25-/m1/s1
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n/an/a 8.91E+3n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50385194
PNG
(CHEMBL2037004)
Show SMILES CC[C@H](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)/t25-/m1/s1
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n/an/a 18.0n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(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