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19 similar compounds to monomer 50179235

Compile data set for download or QSAR
Wt: 462.4
BDBM50179227
Wt: 484.5
BDBM50179229
Wt: 504.4
BDBM50179230
Wt: 500.4
BDBM50179231
Wt: 490.4
BDBM50179233
Wt: 476.4
BDBM50179234
Wt: 476.4
BDBM50179236
Wt: 476.4
BDBM50179237
Wt: 490.4
BDBM50179238
Wt: 518.5
BDBM50179239
Wt: 490.4
BDBM50179240
Wt: 462.4
BDBM50179241
Wt: 504.4
BDBM50179243
Wt: 518.5
BDBM50179244
Wt: 504.4
BDBM50179247
Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 50 hits for monomerid = 50179227,50179229,50179230,50179231,50179233,50179234,50179236,50179237,50179238,50179239,50179240,50179241,50179243,50179244,50179247   
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))
BDBM50179236
PNG
(2-(5-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-2-4-17-20(8-6-18-22(17)34-28-23(18)24(25,26)27)33-12-3-11-32-16-5-7-19-15(13-16)9-10-29(19)14-21(30)31/h5-10,13H,2-4,11-12,14H2,1H3,(H,30,31)
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n/an/a 152n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179236
PNG
(2-(5-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-2-4-17-20(8-6-18-22(17)34-28-23(18)24(25,26)27)33-12-3-11-32-16-5-7-19-15(13-16)9-10-29(19)14-21(30)31/h5-10,13H,2-4,11-12,14H2,1H3,(H,30,31)
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n/an/a 495n/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 alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179236
PNG
(2-(5-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-2-4-17-20(8-6-18-22(17)34-28-23(18)24(25,26)27)33-12-3-11-32-16-5-7-19-15(13-16)9-10-29(19)14-21(30)31/h5-10,13H,2-4,11-12,14H2,1H3,(H,30,31)
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n/an/a 496n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR alpha by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179227
PNG
(2-(5-(2-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O5/c1-2-3-16-19(7-5-17-21(16)33-27-22(17)23(24,25)26)32-11-10-31-15-4-6-18-14(12-15)8-9-28(18)13-20(29)30/h4-9,12H,2-3,10-11,13H2,1H3,(H,29,30)
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n/an/an/an/a 690n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR gamma in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179229
PNG
(2-{5-[3-(3-phenyl-7-propylbenzo[d]isoxazol-6-yloxy...)
Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C29H28N2O5/c1-2-7-23-26(13-11-24-28(30-36-29(23)24)20-8-4-3-5-9-20)35-17-6-16-34-22-10-12-25-21(18-22)14-15-31(25)19-27(32)33/h3-5,8-15,18H,2,6-7,16-17,19H2,1H3,(H,32,33)
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n/an/a 120n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179230
PNG
(2-ethyl-2-{5-[3-(7-propyl-3-trifluoromethylbenzo[d...)
Show SMILES CCCc1c(OCCCOc2ccc3n(ccc3c2)C(CC)C(O)=O)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C26H27F3N2O5/c1-3-6-18-22(10-8-19-23(18)36-30-24(19)26(27,28)29)35-14-5-13-34-17-7-9-21-16(15-17)11-12-31(21)20(4-2)25(32)33/h7-12,15,20H,3-6,13-14H2,1-2H3,(H,32,33)
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n/an/an/an/a 5.90E+3n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR gamma in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179231
PNG
(CHEMBL198929 | {5-[3-(7-propyl-3-trifluoromethylbe...)
Show SMILES CCCc1c(OCCCOc2ccc3n(Cc4nnn[nH]4)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N6O3/c1-2-4-17-20(8-6-18-22(17)36-30-23(18)24(25,26)27)35-12-3-11-34-16-5-7-19-15(13-16)9-10-33(19)14-21-28-31-32-29-21/h5-10,13H,2-4,11-12,14H2,1H3,(H,28,29,31,32)
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n/an/a 1.12E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50179233
PNG
(2-{4-[4-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)
Show SMILES CCCc1c(OCCCCOc2cccc3n(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C25H25F3N2O5/c1-2-6-17-21(10-9-18-23(17)35-29-24(18)25(26,27)28)34-14-4-3-13-33-20-8-5-7-19-16(20)11-12-30(19)15-22(31)32/h5,7-12H,2-4,6,13-15H2,1H3,(H,31,32)
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n/an/an/an/a>1.00E+4n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR delta in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179234
PNG
(2-{6-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)
Show SMILES CCCc1c(OCCCOc2ccc3ccn(CC(O)=O)c3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-2-4-17-20(8-7-18-22(17)34-28-23(18)24(25,26)27)33-12-3-11-32-16-6-5-15-9-10-29(14-21(30)31)19(15)13-16/h5-10,13H,2-4,11-12,14H2,1H3,(H,30,31)
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n/an/a 1.05E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179227
PNG
(2-(5-(2-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O5/c1-2-3-16-19(7-5-17-21(16)33-27-22(17)23(24,25)26)32-11-10-31-15-4-6-18-14(12-15)8-9-28(18)13-20(29)30/h4-9,12H,2-3,10-11,13H2,1H3,(H,29,30)
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n/an/a 422n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179236
PNG
(2-(5-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-2-4-17-20(8-6-18-22(17)34-28-23(18)24(25,26)27)33-12-3-11-32-16-5-7-19-15(13-16)9-10-29(19)14-21(30)31/h5-10,13H,2-4,11-12,14H2,1H3,(H,30,31)
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n/an/an/an/a 14n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR alpha in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50179229
PNG
(2-{5-[3-(3-phenyl-7-propylbenzo[d]isoxazol-6-yloxy...)
Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C29H28N2O5/c1-2-7-23-26(13-11-24-28(30-36-29(23)24)20-8-4-3-5-9-20)35-17-6-16-34-22-10-12-25-21(18-22)14-15-31(25)19-27(32)33/h3-5,8-15,18H,2,6-7,16-17,19H2,1H3,(H,32,33)
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n/an/an/an/a 80n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR delta in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179236
PNG
(2-(5-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-2-4-17-20(8-6-18-22(17)34-28-23(18)24(25,26)27)33-12-3-11-32-16-5-7-19-15(13-16)9-10-29(19)14-21(30)31/h5-10,13H,2-4,11-12,14H2,1H3,(H,30,31)
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n/an/a 152n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50179237
PNG
(2-{4-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)
Show SMILES CCCc1c(OCCCOc2cccc3n(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-2-5-16-20(9-8-17-22(16)34-28-23(17)24(25,26)27)33-13-4-12-32-19-7-3-6-18-15(19)10-11-29(18)14-21(30)31/h3,6-11H,2,4-5,12-14H2,1H3,(H,30,31)
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n/an/an/an/a 610n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR delta in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179238
PNG
(2-{4-[2-methyl-3-(7-propyl-3-trifluoromethylbenzo[...)
Show SMILES CCCc1c(OCC(C)COc2cccc3n(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C25H25F3N2O5/c1-3-5-17-21(9-8-18-23(17)35-29-24(18)25(26,27)28)34-14-15(2)13-33-20-7-4-6-19-16(20)10-11-30(19)12-22(31)32/h4,6-11,15H,3,5,12-14H2,1-2H3,(H,31,32)
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n/an/an/an/a 3.03E+3n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR gamma in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179237
PNG
(2-{4-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)
Show SMILES CCCc1c(OCCCOc2cccc3n(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-2-5-16-20(9-8-17-22(16)34-28-23(17)24(25,26)27)33-13-4-12-32-19-7-3-6-18-15(19)10-11-29(18)14-21(30)31/h3,6-11H,2,4-5,12-14H2,1H3,(H,30,31)
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n/an/an/an/a 186n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR alpha in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179237
PNG
(2-{4-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)
Show SMILES CCCc1c(OCCCOc2cccc3n(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-2-5-16-20(9-8-17-22(16)34-28-23(17)24(25,26)27)33-13-4-12-32-19-7-3-6-18-15(19)10-11-29(18)14-21(30)31/h3,6-11H,2,4-5,12-14H2,1H3,(H,30,31)
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n/an/a 1.99E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179239
PNG
(2-{4-[3-methyl-5-(7-propyl-3-trifluoromethylbenzo[...)
Show SMILES CCCc1c(OCCC(C)CCOc2cccc3n(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C27H29F3N2O5/c1-3-5-19-23(9-8-20-25(19)37-31-26(20)27(28,29)30)36-15-12-17(2)11-14-35-22-7-4-6-21-18(22)10-13-32(21)16-24(33)34/h4,6-10,13,17H,3,5,11-12,14-16H2,1-2H3,(H,33,34)
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n/an/an/an/a>1.00E+4n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR gamma in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179240
PNG
(3-{5-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)
Show SMILES CCCc1c(OCCCOc2ccc3n(CCC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C25H25F3N2O5/c1-2-4-18-21(8-6-19-23(18)35-29-24(19)25(26,27)28)34-14-3-13-33-17-5-7-20-16(15-17)9-11-30(20)12-10-22(31)32/h5-9,11,15H,2-4,10,12-14H2,1H3,(H,31,32)
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n/an/an/an/a 1.20E+3n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR gamma in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179233
PNG
(2-{4-[4-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)
Show SMILES CCCc1c(OCCCCOc2cccc3n(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C25H25F3N2O5/c1-2-6-17-21(10-9-18-23(17)35-29-24(18)25(26,27)28)34-14-4-3-13-33-20-8-5-7-19-16(20)11-12-30(19)15-22(31)32/h5,7-12H,2-4,6,13-15H2,1H3,(H,31,32)
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n/an/an/an/a>1.00E+4n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR alpha in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179241
PNG
(2-{4-[2-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)
Show SMILES CCCc1c(OCCOc2cccc3n(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O5/c1-2-4-15-19(8-7-16-21(15)33-27-22(16)23(24,25)26)32-12-11-31-18-6-3-5-17-14(18)9-10-28(17)13-20(29)30/h3,5-10H,2,4,11-13H2,1H3,(H,29,30)
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n/an/a 1.50E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179243
PNG
(2-{5-[5-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)
Show SMILES CCCc1c(OCCCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C26H27F3N2O5/c1-2-6-19-22(10-8-20-24(19)36-30-25(20)26(27,28)29)35-14-5-3-4-13-34-18-7-9-21-17(15-18)11-12-31(21)16-23(32)33/h7-12,15H,2-6,13-14,16H2,1H3,(H,32,33)
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n/an/an/an/a 1.49E+3n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR gamma in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179244
PNG
(2-{5-[3-methyl-5-(7-propyl-3-trifluoromethylbenzo[...)
Show SMILES CCCc1c(OCCC(C)CCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C27H29F3N2O5/c1-3-4-20-23(8-6-21-25(20)37-31-26(21)27(28,29)30)36-14-11-17(2)10-13-35-19-5-7-22-18(15-19)9-12-32(22)16-24(33)34/h5-9,12,15,17H,3-4,10-11,13-14,16H2,1-2H3,(H,33,34)
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n/an/a 1.37E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179230
PNG
(2-ethyl-2-{5-[3-(7-propyl-3-trifluoromethylbenzo[d...)
Show SMILES CCCc1c(OCCCOc2ccc3n(ccc3c2)C(CC)C(O)=O)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C26H27F3N2O5/c1-3-6-18-22(10-8-19-23(18)36-30-24(19)26(27,28)29)35-14-5-13-34-17-7-9-21-16(15-17)11-12-31(21)20(4-2)25(32)33/h7-12,15,20H,3-6,13-14H2,1-2H3,(H,32,33)
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n/an/a 1.71E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179243
PNG
(2-{5-[5-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)
Show SMILES CCCc1c(OCCCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C26H27F3N2O5/c1-2-6-19-22(10-8-20-24(19)36-30-25(20)26(27,28)29)35-14-5-3-4-13-34-18-7-9-21-17(15-18)11-12-31(21)16-23(32)33/h7-12,15H,2-6,13-14,16H2,1H3,(H,32,33)
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n/an/a 1.05E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179234
PNG
(2-{6-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)
Show SMILES CCCc1c(OCCCOc2ccc3ccn(CC(O)=O)c3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-2-4-17-20(8-7-18-22(17)34-28-23(18)24(25,26)27)33-12-3-11-32-16-6-5-15-9-10-29(14-21(30)31)19(15)13-16/h5-10,13H,2-4,11-12,14H2,1H3,(H,30,31)
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n/an/an/an/a 1.82E+3n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR alpha in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179240
PNG
(3-{5-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)
Show SMILES CCCc1c(OCCCOc2ccc3n(CCC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C25H25F3N2O5/c1-2-4-18-21(8-6-19-23(18)35-29-24(19)25(26,27)28)34-14-3-13-33-17-5-7-20-16(15-17)9-11-30(20)12-10-22(31)32/h5-9,11,15H,2-4,10,12-14H2,1H3,(H,31,32)
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n/an/a 584n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50179234
PNG
(2-{6-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)
Show SMILES CCCc1c(OCCCOc2ccc3ccn(CC(O)=O)c3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-2-4-17-20(8-7-18-22(17)34-28-23(18)24(25,26)27)33-12-3-11-32-16-6-5-15-9-10-29(14-21(30)31)19(15)13-16/h5-10,13H,2-4,11-12,14H2,1H3,(H,30,31)
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n/an/an/an/a 80n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR delta in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179247
PNG
(2-{4-[5-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)
Show SMILES CCCc1c(OCCCCCOc2cccc3n(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C26H27F3N2O5/c1-2-7-18-22(11-10-19-24(18)36-30-25(19)26(27,28)29)35-15-5-3-4-14-34-21-9-6-8-20-17(21)12-13-31(20)16-23(32)33/h6,8-13H,2-5,7,14-16H2,1H3,(H,32,33)
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n/an/an/an/a>1.00E+4n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR gamma in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50179227
PNG
(2-(5-(2-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O5/c1-2-3-16-19(7-5-17-21(16)33-27-22(17)23(24,25)26)32-11-10-31-15-4-6-18-14(12-15)8-9-28(18)13-20(29)30/h4-9,12H,2-3,10-11,13H2,1H3,(H,29,30)
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n/an/an/an/a 125n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR delta in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179244
PNG
(2-{5-[3-methyl-5-(7-propyl-3-trifluoromethylbenzo[...)
Show SMILES CCCc1c(OCCC(C)CCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C27H29F3N2O5/c1-3-4-20-23(8-6-21-25(20)37-31-26(21)27(28,29)30)36-14-11-17(2)10-13-35-19-5-7-22-18(15-19)9-12-32(22)16-24(33)34/h5-9,12,15,17H,3-4,10-11,13-14,16H2,1-2H3,(H,33,34)
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n/an/an/an/a>1.00E+4n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR gamma in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179229
PNG
(2-{5-[3-(3-phenyl-7-propylbenzo[d]isoxazol-6-yloxy...)
Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C29H28N2O5/c1-2-7-23-26(13-11-24-28(30-36-29(23)24)20-8-4-3-5-9-20)35-17-6-16-34-22-10-12-25-21(18-22)14-15-31(25)19-27(32)33/h3-5,8-15,18H,2,6-7,16-17,19H2,1H3,(H,32,33)
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n/an/an/an/a 290n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR gamma in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179241
PNG
(2-{4-[2-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)
Show SMILES CCCc1c(OCCOc2cccc3n(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O5/c1-2-4-15-19(8-7-16-21(15)33-27-22(16)23(24,25)26)32-12-11-31-18-6-3-5-17-14(18)9-10-28(17)13-20(29)30/h3,5-10H,2,4,11-13H2,1H3,(H,29,30)
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n/an/an/an/a>1.00E+4n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR gamma in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179231
PNG
(CHEMBL198929 | {5-[3-(7-propyl-3-trifluoromethylbe...)
Show SMILES CCCc1c(OCCCOc2ccc3n(Cc4nnn[nH]4)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N6O3/c1-2-4-17-20(8-6-18-22(17)36-30-23(18)24(25,26)27)35-12-3-11-34-16-5-7-19-15(13-16)9-10-33(19)14-21-28-31-32-29-21/h5-10,13H,2-4,11-12,14H2,1H3,(H,28,29,31,32)
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n/an/an/an/a 474n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR alpha in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179236
PNG
(2-(5-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-2-4-17-20(8-6-18-22(17)34-28-23(18)24(25,26)27)33-12-3-11-32-16-5-7-19-15(13-16)9-10-29(19)14-21(30)31/h5-10,13H,2-4,11-12,14H2,1H3,(H,30,31)
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n/an/an/an/a 230n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR gamma in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179234
PNG
(2-{6-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)
Show SMILES CCCc1c(OCCCOc2ccc3ccn(CC(O)=O)c3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-2-4-17-20(8-7-18-22(17)34-28-23(18)24(25,26)27)33-12-3-11-32-16-6-5-15-9-10-29(14-21(30)31)19(15)13-16/h5-10,13H,2-4,11-12,14H2,1H3,(H,30,31)
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n/an/an/an/a 1.35E+3n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR gamma in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50179231
PNG
(CHEMBL198929 | {5-[3-(7-propyl-3-trifluoromethylbe...)
Show SMILES CCCc1c(OCCCOc2ccc3n(Cc4nnn[nH]4)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N6O3/c1-2-4-17-20(8-6-18-22(17)36-30-23(18)24(25,26)27)35-12-3-11-34-16-5-7-19-15(13-16)9-10-33(19)14-21-28-31-32-29-21/h5-10,13H,2-4,11-12,14H2,1H3,(H,28,29,31,32)
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n/an/an/an/a 370n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR delta in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50179236
PNG
(2-(5-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-2-4-17-20(8-6-18-22(17)34-28-23(18)24(25,26)27)33-12-3-11-32-16-5-7-19-15(13-16)9-10-29(19)14-21(30)31/h5-10,13H,2-4,11-12,14H2,1H3,(H,30,31)
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n/an/an/an/a 10n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR delta in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179227
PNG
(2-(5-(2-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O5/c1-2-3-16-19(7-5-17-21(16)33-27-22(17)23(24,25)26)32-11-10-31-15-4-6-18-14(12-15)8-9-28(18)13-20(29)30/h4-9,12H,2-3,10-11,13H2,1H3,(H,29,30)
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n/an/an/an/a 311n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR alpha in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179239
PNG
(2-{4-[3-methyl-5-(7-propyl-3-trifluoromethylbenzo[...)
Show SMILES CCCc1c(OCCC(C)CCOc2cccc3n(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C27H29F3N2O5/c1-3-5-19-23(9-8-20-25(19)37-31-26(20)27(28,29)30)36-15-12-17(2)11-14-35-22-7-4-6-21-18(22)10-13-32(21)16-24(33)34/h4,6-10,13,17H,3,5,11-12,14-16H2,1-2H3,(H,33,34)
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n/an/a 1.45E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179238
PNG
(2-{4-[2-methyl-3-(7-propyl-3-trifluoromethylbenzo[...)
Show SMILES CCCc1c(OCC(C)COc2cccc3n(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C25H25F3N2O5/c1-3-5-17-21(9-8-18-23(17)35-29-24(18)25(26,27)28)34-14-15(2)13-33-20-7-4-6-19-16(20)10-11-30(19)12-22(31)32/h4,6-11,15H,3,5,12-14H2,1-2H3,(H,31,32)
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n/an/a 1.30E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179237
PNG
(2-{4-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)
Show SMILES CCCc1c(OCCCOc2cccc3n(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-2-5-16-20(9-8-17-22(16)34-28-23(17)24(25,26)27)33-13-4-12-32-19-7-3-6-18-15(19)10-11-29(18)14-21(30)31/h3,6-11H,2,4-5,12-14H2,1H3,(H,30,31)
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n/an/an/an/a 2.39E+3n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR gamma in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179233
PNG
(2-{4-[4-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)
Show SMILES CCCc1c(OCCCCOc2cccc3n(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C25H25F3N2O5/c1-2-6-17-21(10-9-18-23(17)35-29-24(18)25(26,27)28)34-14-4-3-13-33-20-8-5-7-19-16(20)11-12-30(19)15-22(31)32/h5,7-12H,2-4,6,13-15H2,1H3,(H,31,32)
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n/an/a 774n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179247
PNG
(2-{4-[5-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)
Show SMILES CCCc1c(OCCCCCOc2cccc3n(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C26H27F3N2O5/c1-2-7-18-22(11-10-19-24(18)36-30-25(19)26(27,28)29)35-15-5-3-4-14-34-21-9-6-8-20-17(21)12-13-31(20)16-23(32)33/h6,8-13H,2-5,7,14-16H2,1H3,(H,32,33)
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n/an/a 1.78E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179231
PNG
(CHEMBL198929 | {5-[3-(7-propyl-3-trifluoromethylbe...)
Show SMILES CCCc1c(OCCCOc2ccc3n(Cc4nnn[nH]4)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N6O3/c1-2-4-17-20(8-6-18-22(17)36-30-23(18)24(25,26)27)35-12-3-11-34-16-5-7-19-15(13-16)9-10-33(19)14-21-28-31-32-29-21/h5-10,13H,2-4,11-12,14H2,1H3,(H,28,29,31,32)
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n/an/an/an/a 898n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR gamma in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179233
PNG
(2-{4-[4-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)
Show SMILES CCCc1c(OCCCCOc2cccc3n(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C25H25F3N2O5/c1-2-6-17-21(10-9-18-23(17)35-29-24(18)25(26,27)28)34-14-4-3-13-33-20-8-5-7-19-16(20)11-12-30(19)15-22(31)32/h5,7-12H,2-4,6,13-15H2,1H3,(H,31,32)
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n/an/an/an/a 1.98E+3n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR gamma in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179229
PNG
(2-{5-[3-(3-phenyl-7-propylbenzo[d]isoxazol-6-yloxy...)
Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C29H28N2O5/c1-2-7-23-26(13-11-24-28(30-36-29(23)24)20-8-4-3-5-9-20)35-17-6-16-34-22-10-12-25-21(18-22)14-15-31(25)19-27(32)33/h3-5,8-15,18H,2,6-7,16-17,19H2,1H3,(H,32,33)
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n/an/an/an/a 18n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR alpha in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50179236
PNG
(2-(5-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-2-4-17-20(8-6-18-22(17)34-28-23(18)24(25,26)27)33-12-3-11-32-16-5-7-19-15(13-16)9-10-29(19)14-21(30)31/h5-10,13H,2-4,11-12,14H2,1H3,(H,30,31)
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n/an/a 95.9n/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))
BDBM50179236
PNG
(2-(5-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-2-4-17-20(8-6-18-22(17)34-28-23(18)24(25,26)27)33-12-3-11-32-16-5-7-19-15(13-16)9-10-29(19)14-21(30)31/h5-10,13H,2-4,11-12,14H2,1H3,(H,30,31)
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n/an/a 152n/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
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50179236
PNG
(2-(5-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-2-4-17-20(8-6-18-22(17)34-28-23(18)24(25,26)27)33-12-3-11-32-16-5-7-19-15(13-16)9-10-29(19)14-21(30)31/h5-10,13H,2-4,11-12,14H2,1H3,(H,30,31)
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n/an/a 96n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR delta by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair