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PubMed code 16153845

Compile data set for download or QSAR
Found 81 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173356
PNG
(1-(4-tert-Butyl-phenyl)-5-(4-chloro-1H-pyrrol-2-yl...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2cc(Oc3cc(Cl)c[nH]3)ccc12
Show InChI InChI=1S/C30H24ClF3N2O4/c1-29(2,3)17-7-9-20(10-8-17)36-24-12-11-22(39-25-14-19(31)16-35-25)15-23(24)27(26(36)28(37)38)40-21-6-4-5-18(13-21)30(32,33)34/h4-16,35H,1-3H3,(H,37,38)
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173344
PNG
(1-(4-tert-Butyl-phenyl)-3-(3-trifluoromethyl-pheno...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2cc(Oc3cc(c[nH]3)C(F)(F)F)ccc12
Show InChI InChI=1S/C31H24F6N2O4/c1-29(2,3)17-7-9-20(10-8-17)39-24-12-11-22(42-25-14-19(16-38-25)31(35,36)37)15-23(24)27(26(39)28(40)41)43-21-6-4-5-18(13-21)30(32,33)34/h4-16,38H,1-3H3,(H,40,41)
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173351
PNG
(1-(4-tert-Butyl-phenyl)-5-(1H-pyrrol-2-yloxy)-3-(3...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2cc(Oc3ccc[nH]3)ccc12
Show InChI InChI=1S/C30H25F3N2O4/c1-29(2,3)18-9-11-20(12-10-18)35-24-14-13-22(38-25-8-5-15-34-25)17-23(24)27(26(35)28(36)37)39-21-7-4-6-19(16-21)30(31,32)33/h4-17,34H,1-3H3,(H,36,37)
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173359
PNG
(1-(4-tert-Butyl-phenyl)-3-(3-trifluoromethyl-pheno...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C26H22F3NO3/c1-25(2,3)16-11-13-18(14-12-16)30-21-10-5-4-9-20(21)23(22(30)24(31)32)33-19-8-6-7-17(15-19)26(27,28)29/h4-15H,1-3H3,(H,31,32)
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173348
PNG
(1-(4-tert-Butyl-phenyl)-5-chloro-3-(4-chloro-3-tri...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2ccc(Cl)c(c2)C(F)(F)F)c2cc(Cl)ccc12
Show InChI InChI=1S/C26H20Cl2F3NO3/c1-25(2,3)14-4-7-16(8-5-14)32-21-11-6-15(27)12-18(21)23(22(32)24(33)34)35-17-9-10-20(28)19(13-17)26(29,30)31/h4-13H,1-3H3,(H,33,34)
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173366
PNG
(1-(4-tert-Butyl-phenyl)-5-chloro-3-(3-trifluoromet...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2cc(Cl)ccc12
Show InChI InChI=1S/C26H21ClF3NO3/c1-25(2,3)15-7-10-18(11-8-15)31-21-12-9-17(27)14-20(21)23(22(31)24(32)33)34-19-6-4-5-16(13-19)26(28,29)30/h4-14H,1-3H3,(H,32,33)
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n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173357
PNG
(1-(4-tert-Butyl-phenyl)-5-ethoxy-3-(3-trifluoromet...)
Show SMILES CCOc1ccc2n(c(C(O)=O)c(Oc3cccc(c3)C(F)(F)F)c2c1)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H26F3NO4/c1-5-35-20-13-14-23-22(16-20)25(36-21-8-6-7-18(15-21)28(29,30)31)24(26(33)34)32(23)19-11-9-17(10-12-19)27(2,3)4/h6-16H,5H2,1-4H3,(H,33,34)
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173354
PNG
(1-(4-tert-Butyl-phenyl)-5-isobutoxy-3-(3-trifluoro...)
Show SMILES CC(C)COc1ccc2n(c(C(O)=O)c(Oc3cccc(c3)C(F)(F)F)c2c1)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C30H30F3NO4/c1-18(2)17-37-22-13-14-25-24(16-22)27(38-23-8-6-7-20(15-23)30(31,32)33)26(28(35)36)34(25)21-11-9-19(10-12-21)29(3,4)5/h6-16,18H,17H2,1-5H3,(H,35,36)
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173343
PNG
(1-(4-tert-Butyl-phenyl)-6-chloro-3-(3-isopropyl-ph...)
Show SMILES CC(C)c1cccc(Oc2c(C(O)=O)n(-c3ccc(cc3)C(C)(C)C)c3cc(Cl)ccc23)c1
Show InChI InChI=1S/C28H28ClNO3/c1-17(2)18-7-6-8-22(15-18)33-26-23-14-11-20(29)16-24(23)30(25(26)27(31)32)21-12-9-19(10-13-21)28(3,4)5/h6-17H,1-5H3,(H,31,32)
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n/an/a 19n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173362
PNG
(1-(4-tert-Butyl-phenyl)-6-chloro-3-(3-trifluoromet...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2ccc(Cl)nc12
Show InChI InChI=1S/C25H20ClF3N2O3/c1-24(2,3)14-7-9-16(10-8-14)31-20(23(32)33)21(18-11-12-19(26)30-22(18)31)34-17-6-4-5-15(13-17)25(27,28)29/h4-13H,1-3H3,(H,32,33)
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n/an/a 21n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173365
PNG
(5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDO...)
Show SMILES OC(=O)c1c(Sc2ccccc2)c2cc(Cl)ccc2n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C22H15Cl2NO2S/c23-15-8-6-14(7-9-15)13-25-19-11-10-16(24)12-18(19)21(20(25)22(26)27)28-17-4-2-1-3-5-17/h1-12H,13H2,(H,26,27)
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n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173349
PNG
(1-(4-tert-Butyl-phenyl)-6-chloro-3-(3-trifluoromet...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2ccc(Cl)cc12
Show InChI InChI=1S/C26H21ClF3NO3/c1-25(2,3)15-7-10-18(11-8-15)31-21-14-17(27)9-12-20(21)23(22(31)24(32)33)34-19-6-4-5-16(13-19)26(28,29)30/h4-14H,1-3H3,(H,32,33)
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n/an/a 27n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173369
PNG
(1-(4-tert-Butyl-phenyl)-5-methoxy-3-(3-trifluorome...)
Show SMILES COc1ccc2n(c(C(O)=O)c(Oc3cccc(c3)C(F)(F)F)c2c1)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C27H24F3NO4/c1-26(2,3)16-8-10-18(11-9-16)31-22-13-12-19(34-4)15-21(22)24(23(31)25(32)33)35-20-7-5-6-17(14-20)27(28,29)30/h5-15H,1-4H3,(H,32,33)
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n/an/a 39n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173341
PNG
(1-(4-tert-Butyl-phenyl)-3-(4-trifluoromethoxy-phen...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2ccc(OC(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C26H22F3NO4/c1-25(2,3)16-8-10-17(11-9-16)30-21-7-5-4-6-20(21)23(22(30)24(31)32)33-18-12-14-19(15-13-18)34-26(27,28)29/h4-15H,1-3H3,(H,31,32)
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n/an/a 49n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173352
PNG
(1-(4-tert-Butyl-phenyl)-3-(3-ethoxy-phenoxy)-1H-in...)
Show SMILES CCOc1cccc(Oc2c(C(O)=O)n(-c3ccc(cc3)C(C)(C)C)c3ccccc23)c1
Show InChI InChI=1S/C27H27NO4/c1-5-31-20-9-8-10-21(17-20)32-25-22-11-6-7-12-23(22)28(24(25)26(29)30)19-15-13-18(14-16-19)27(2,3)4/h6-17H,5H2,1-4H3,(H,29,30)
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n/an/a 49n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173368
PNG
(1-(4-tert-Butyl-phenyl)-6-chloro-3-[3-(4-trifluoro...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)-c2cc(c[nH]2)C(F)(F)F)c2ccc(Cl)nc12
Show InChI InChI=1S/C29H23ClF3N3O3/c1-28(2,3)17-7-9-19(10-8-17)36-24(27(37)38)25(21-11-12-23(30)35-26(21)36)39-20-6-4-5-16(13-20)22-14-18(15-34-22)29(31,32)33/h4-15,34H,1-3H3,(H,37,38)
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n/an/a 58n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173358
PNG
(1-(3-Isopropyl-phenyl)-3-(3-trifluoromethyl-phenox...)
Show SMILES CC(C)c1cccc(c1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C25H20F3NO3/c1-15(2)16-7-5-9-18(13-16)29-21-12-4-3-11-20(21)23(22(29)24(30)31)32-19-10-6-8-17(14-19)25(26,27)28/h3-15H,1-2H3,(H,30,31)
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n/an/a 60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173370
PNG
(1-(4-tert-Butyl-phenyl)-3-(3-trifluoromethyl-pheno...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2cccnc12
Show InChI InChI=1S/C25H21F3N2O3/c1-24(2,3)15-9-11-17(12-10-15)30-20(23(31)32)21(19-8-5-13-29-22(19)30)33-18-7-4-6-16(14-18)25(26,27)28/h4-14H,1-3H3,(H,31,32)
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n/an/a 75n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173342
PNG
(1-(4-tert-Butyl-phenyl)-3-(3-hydroxy-phenoxy)-1H-i...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(O)c2)c2ccccc12
Show InChI InChI=1S/C25H23NO4/c1-25(2,3)16-11-13-17(14-12-16)26-21-10-5-4-9-20(21)23(22(26)24(28)29)30-19-8-6-7-18(27)15-19/h4-15,27H,1-3H3,(H,28,29)
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n/an/a 78n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173364
PNG
(3-(3,5-Bis-trifluoromethyl-phenoxy)-1-(4-tert-buty...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(Cl)ccc12
Show InChI InChI=1S/C27H20ClF6NO3/c1-25(2,3)14-4-7-18(8-5-14)35-21-9-6-17(28)13-20(21)23(22(35)24(36)37)38-19-11-15(26(29,30)31)10-16(12-19)27(32,33)34/h4-13H,1-3H3,(H,36,37)
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n/an/a 83n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173361
PNG
(1-(4-tert-Butyl-phenyl)-6-methoxy-3-(3-trifluorome...)
Show SMILES COc1ccc2c(Oc3cccc(c3)C(F)(F)F)c(C(O)=O)n(-c3ccc(cc3)C(C)(C)C)c2n1
Show InChI InChI=1S/C26H23F3N2O4/c1-25(2,3)15-8-10-17(11-9-15)31-21(24(32)33)22(19-12-13-20(34-4)30-23(19)31)35-18-7-5-6-16(14-18)26(27,28)29/h5-14H,1-4H3,(H,32,33)
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n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173360
PNG
(3-(3-Hydroxy-phenoxy)-1-(3-isopropyl-phenyl)-1H-in...)
Show SMILES CC(C)c1cccc(c1)-n1c(C(O)=O)c(Oc2cccc(O)c2)c2ccccc12
Show InChI InChI=1S/C24H21NO4/c1-15(2)16-7-5-8-17(13-16)25-21-12-4-3-11-20(21)23(22(25)24(27)28)29-19-10-6-9-18(26)14-19/h3-15,26H,1-2H3,(H,27,28)
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n/an/a 102n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173353
PNG
(1-(4-tert-Butyl-phenyl)-6-chloro-3-(3-methoxy-phen...)
Show SMILES COc1cccc(Oc2c(C(O)=O)n(-c3ccc(cc3)C(C)(C)C)c3nc(Cl)ccc23)c1
Show InChI InChI=1S/C25H23ClN2O4/c1-25(2,3)15-8-10-16(11-9-15)28-21(24(29)30)22(19-12-13-20(26)27-23(19)28)32-18-7-5-6-17(14-18)31-4/h5-14H,1-4H3,(H,29,30)
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n/an/a 104n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173363
PNG
(3-(3-Trifluoromethyl-phenoxy)-1-(4-trifluoromethyl...)
Show SMILES OC(=O)c1c(Oc2cccc(c2)C(F)(F)F)c2ccccc2n1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H13F6NO3/c24-22(25,26)13-8-10-15(11-9-13)30-18-7-2-1-6-17(18)20(19(30)21(31)32)33-16-5-3-4-14(12-16)23(27,28)29/h1-12H,(H,31,32)
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n/an/a 107n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173355
PNG
(1-(4-Methoxy-phenyl)-3-(3-trifluoromethyl-phenoxy)...)
Show SMILES COc1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C23H16F3NO4/c1-30-16-11-9-15(10-12-16)27-19-8-3-2-7-18(19)21(20(27)22(28)29)31-17-6-4-5-14(13-17)23(24,25)26/h2-13H,1H3,(H,28,29)
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n/an/a 115n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173350
PNG
(1-(3-Isopropyl-phenyl)-3-(4-trifluoromethyl-phenox...)
Show SMILES CC(C)c1cccc(c1)-n1c(C(O)=O)c(Oc2ccc(cc2)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C25H20F3NO3/c1-15(2)16-6-5-7-18(14-16)29-21-9-4-3-8-20(21)23(22(29)24(30)31)32-19-12-10-17(11-13-19)25(26,27)28/h3-15H,1-2H3,(H,30,31)
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n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173346
PNG
(1-(4-tert-Butyl-phenyl)-6-chloro-3-(3-methanesulfo...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)S(C)(=O)=O)c2ccc(Cl)nc12
Show InChI InChI=1S/C25H23ClN2O5S/c1-25(2,3)15-8-10-16(11-9-15)28-21(24(29)30)22(19-12-13-20(26)27-23(19)28)33-17-6-5-7-18(14-17)34(4,31)32/h5-14H,1-4H3,(H,29,30)
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n/an/a 202n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(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 210n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173345
PNG
(1-(4-tert-Butyl-phenyl)-3-[4-(4-trifluoromethyl-1H...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2ccc(cc2)-c2cc(c[nH]2)C(F)(F)F)c2cccnc12
Show InChI InChI=1S/C29H24F3N3O3/c1-28(2,3)18-8-10-20(11-9-18)35-24(27(36)37)25(22-5-4-14-33-26(22)35)38-21-12-6-17(7-13-21)23-15-19(16-34-23)29(30,31)32/h4-16,34H,1-3H3,(H,36,37)
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n/an/a 251n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173347
PNG
(1-(4-tert-Butyl-phenyl)-3-(4-chloro-phenoxy)-6-tri...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc12
Show InChI InChI=1S/C26H21ClF3NO4/c1-25(2,3)15-4-8-17(9-5-15)31-21-14-19(35-26(28,29)30)12-13-20(21)23(22(31)24(32)33)34-18-10-6-16(27)7-11-18/h4-14H,1-3H3,(H,32,33)
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n/an/a 298n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173367
PNG
(1-(4-tert-Butyl-phenyl)-5-hydroxy-3-(3-trifluorome...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2cc(O)ccc12
Show InChI InChI=1S/C26H22F3NO4/c1-25(2,3)15-7-9-17(10-8-15)30-21-12-11-18(31)14-20(21)23(22(30)24(32)33)34-19-6-4-5-16(13-19)26(27,28)29/h4-14,31H,1-3H3,(H,32,33)
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n/an/a 318n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50173363
PNG
(3-(3-Trifluoromethyl-phenoxy)-1-(4-trifluoromethyl...)
Show SMILES OC(=O)c1c(Oc2cccc(c2)C(F)(F)F)c2ccccc2n1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H13F6NO3/c24-22(25,26)13-8-10-15(11-9-13)30-18-7-2-1-6-17(18)20(19(30)21(31)32)33-16-5-3-4-14(12-16)23(27,28)29/h1-12H,(H,31,32)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50173341
PNG
(1-(4-tert-Butyl-phenyl)-3-(4-trifluoromethoxy-phen...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2ccc(OC(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C26H22F3NO4/c1-25(2,3)16-8-10-17(11-9-16)30-21-7-5-4-6-20(21)23(22(30)24(31)32)33-18-12-14-19(15-13-18)34-26(27,28)29/h4-15H,1-3H3,(H,31,32)
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n/an/a 3.58E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50173354
PNG
(1-(4-tert-Butyl-phenyl)-5-isobutoxy-3-(3-trifluoro...)
Show SMILES CC(C)COc1ccc2n(c(C(O)=O)c(Oc3cccc(c3)C(F)(F)F)c2c1)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C30H30F3NO4/c1-18(2)17-37-22-13-14-25-24(16-22)27(38-23-8-6-7-20(15-23)30(31,32)33)26(28(35)36)34(25)21-11-9-19(10-12-21)29(3,4)5/h6-16,18H,17H2,1-5H3,(H,35,36)
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n/an/a 4.15E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50173348
PNG
(1-(4-tert-Butyl-phenyl)-5-chloro-3-(4-chloro-3-tri...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2ccc(Cl)c(c2)C(F)(F)F)c2cc(Cl)ccc12
Show InChI InChI=1S/C26H20Cl2F3NO3/c1-25(2,3)14-4-7-16(8-5-14)32-21-11-6-15(27)12-18(21)23(22(32)24(33)34)35-17-9-10-20(28)19(13-17)26(29,30)31/h4-13H,1-3H3,(H,33,34)
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n/an/a>4.48E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50173357
PNG
(1-(4-tert-Butyl-phenyl)-5-ethoxy-3-(3-trifluoromet...)
Show SMILES CCOc1ccc2n(c(C(O)=O)c(Oc3cccc(c3)C(F)(F)F)c2c1)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H26F3NO4/c1-5-35-20-13-14-23-22(16-20)25(36-21-8-6-7-18(15-21)28(29,30)31)24(26(33)34)32(23)19-11-9-17(10-12-19)27(2,3)4/h6-16H,5H2,1-4H3,(H,33,34)
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n/an/a 6.27E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50173351
PNG
(1-(4-tert-Butyl-phenyl)-5-(1H-pyrrol-2-yloxy)-3-(3...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2cc(Oc3ccc[nH]3)ccc12
Show InChI InChI=1S/C30H25F3N2O4/c1-29(2,3)18-9-11-20(12-10-18)35-24-14-13-22(38-25-8-5-15-34-25)17-23(24)27(26(35)28(36)37)39-21-7-4-6-19(16-21)30(31,32)33/h4-17,34H,1-3H3,(H,36,37)
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n/an/a 9.02E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50173359
PNG
(1-(4-tert-Butyl-phenyl)-3-(3-trifluoromethyl-pheno...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C26H22F3NO3/c1-25(2,3)16-11-13-18(14-12-16)30-21-10-5-4-9-20(21)23(22(30)24(31)32)33-19-8-6-7-17(15-19)26(27,28)29/h4-15H,1-3H3,(H,31,32)
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n/an/a 1.06E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50173344
PNG
(1-(4-tert-Butyl-phenyl)-3-(3-trifluoromethyl-pheno...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2cc(Oc3cc(c[nH]3)C(F)(F)F)ccc12
Show InChI InChI=1S/C31H24F6N2O4/c1-29(2,3)17-7-9-20(10-8-17)39-24-12-11-22(42-25-14-19(16-38-25)31(35,36)37)15-23(24)27(26(39)28(40)41)43-21-6-4-5-18(13-21)30(32,33)34/h4-16,38H,1-3H3,(H,40,41)
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n/an/a 1.15E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50173350
PNG
(1-(3-Isopropyl-phenyl)-3-(4-trifluoromethyl-phenox...)
Show SMILES CC(C)c1cccc(c1)-n1c(C(O)=O)c(Oc2ccc(cc2)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C25H20F3NO3/c1-15(2)16-6-5-7-18(14-16)29-21-9-4-3-8-20(21)23(22(29)24(30)31)32-19-12-10-17(11-13-19)25(26,27)28/h3-15H,1-2H3,(H,30,31)
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50173365
PNG
(5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDO...)
Show SMILES OC(=O)c1c(Sc2ccccc2)c2cc(Cl)ccc2n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C22H15Cl2NO2S/c23-15-8-6-14(7-9-15)13-25-19-11-10-16(24)12-18(19)21(20(25)22(26)27)28-17-4-2-1-3-5-17/h1-12H,13H2,(H,26,27)
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50173358
PNG
(1-(3-Isopropyl-phenyl)-3-(3-trifluoromethyl-phenox...)
Show SMILES CC(C)c1cccc(c1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C25H20F3NO3/c1-15(2)16-7-5-9-18(13-16)29-21-12-4-3-11-20(21)23(22(29)24(30)31)32-19-10-6-8-17(14-19)25(26,27)28/h3-15H,1-2H3,(H,30,31)
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50173364
PNG
(3-(3,5-Bis-trifluoromethyl-phenoxy)-1-(4-tert-buty...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(Cl)ccc12
Show InChI InChI=1S/C27H20ClF6NO3/c1-25(2,3)14-4-7-18(8-5-14)35-21-9-6-17(28)13-20(21)23(22(35)24(36)37)38-19-11-15(26(29,30)31)10-16(12-19)27(32,33)34/h4-13H,1-3H3,(H,36,37)
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50173347
PNG
(1-(4-tert-Butyl-phenyl)-3-(4-chloro-phenoxy)-6-tri...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc12
Show InChI InChI=1S/C26H21ClF3NO4/c1-25(2,3)15-4-8-17(9-5-15)31-21-14-19(35-26(28,29)30)12-13-20(21)23(22(31)24(32)33)34-18-10-6-16(27)7-11-18/h4-14H,1-3H3,(H,32,33)
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50173356
PNG
(1-(4-tert-Butyl-phenyl)-5-(4-chloro-1H-pyrrol-2-yl...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2cc(Oc3cc(Cl)c[nH]3)ccc12
Show InChI InChI=1S/C30H24ClF3N2O4/c1-29(2,3)17-7-9-20(10-8-17)36-24-12-11-22(39-25-14-19(31)16-35-25)15-23(24)27(26(36)28(37)38)40-21-6-4-5-18(13-21)30(32,33)34/h4-16,35H,1-3H3,(H,37,38)
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50173349
PNG
(1-(4-tert-Butyl-phenyl)-6-chloro-3-(3-trifluoromet...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2ccc(Cl)cc12
Show InChI InChI=1S/C26H21ClF3NO3/c1-25(2,3)15-7-10-18(11-8-15)31-21-14-17(27)9-12-20(21)23(22(31)24(32)33)34-19-6-4-5-16(13-19)26(28,29)30/h4-14H,1-3H3,(H,32,33)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50173353
PNG
(1-(4-tert-Butyl-phenyl)-6-chloro-3-(3-methoxy-phen...)
Show SMILES COc1cccc(Oc2c(C(O)=O)n(-c3ccc(cc3)C(C)(C)C)c3nc(Cl)ccc23)c1
Show InChI InChI=1S/C25H23ClN2O4/c1-25(2,3)15-8-10-16(11-9-15)28-21(24(29)30)22(19-12-13-20(26)27-23(19)28)32-18-7-5-6-17(14-18)31-4/h5-14H,1-4H3,(H,29,30)
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50173343
PNG
(1-(4-tert-Butyl-phenyl)-6-chloro-3-(3-isopropyl-ph...)
Show SMILES CC(C)c1cccc(Oc2c(C(O)=O)n(-c3ccc(cc3)C(C)(C)C)c3cc(Cl)ccc23)c1
Show InChI InChI=1S/C28H28ClNO3/c1-17(2)18-7-6-8-22(15-18)33-26-23-14-11-20(29)16-24(23)30(25(26)27(31)32)21-12-9-19(10-13-21)28(3,4)5/h6-17H,1-5H3,(H,31,32)
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50173362
PNG
(1-(4-tert-Butyl-phenyl)-6-chloro-3-(3-trifluoromet...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2ccc(Cl)nc12
Show InChI InChI=1S/C25H20ClF3N2O3/c1-24(2,3)14-7-9-16(10-8-14)31-20(23(32)33)21(18-11-12-19(26)30-22(18)31)34-17-6-4-5-15(13-17)25(27,28)29/h4-13H,1-3H3,(H,32,33)
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50173361
PNG
(1-(4-tert-Butyl-phenyl)-6-methoxy-3-(3-trifluorome...)
Show SMILES COc1ccc2c(Oc3cccc(c3)C(F)(F)F)c(C(O)=O)n(-c3ccc(cc3)C(C)(C)C)c2n1
Show InChI InChI=1S/C26H23F3N2O4/c1-25(2,3)15-8-10-17(11-9-15)31-21(24(32)33)22(19-12-13-20(34-4)30-23(19)31)35-18-7-5-6-16(14-18)26(27,28)29/h5-14H,1-4H3,(H,32,33)
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50173369
PNG
(1-(4-tert-Butyl-phenyl)-5-methoxy-3-(3-trifluorome...)
Show SMILES COc1ccc2n(c(C(O)=O)c(Oc3cccc(c3)C(F)(F)F)c2c1)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C27H24F3NO4/c1-26(2,3)16-8-10-18(11-9-16)31-22-13-12-19(34-4)15-21(22)24(23(31)25(32)33)35-20-7-5-6-17(14-20)27(28,29)30/h5-15H,1-4H3,(H,32,33)
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50173366
PNG
(1-(4-tert-Butyl-phenyl)-5-chloro-3-(3-trifluoromet...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2cc(Cl)ccc12
Show InChI InChI=1S/C26H21ClF3NO3/c1-25(2,3)15-7-10-18(11-8-15)31-21-12-9-17(27)14-20(21)23(22(31)24(32)33)34-19-6-4-5-16(13-19)26(28,29)30/h4-14H,1-3H3,(H,32,33)
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50173346
PNG
(1-(4-tert-Butyl-phenyl)-6-chloro-3-(3-methanesulfo...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)S(C)(=O)=O)c2ccc(Cl)nc12
Show InChI InChI=1S/C25H23ClN2O5S/c1-25(2,3)15-8-10-16(11-9-15)28-21(24(29)30)22(19-12-13-20(26)27-23(19)28)33-17-6-5-7-18(14-17)34(4,31)32/h5-14H,1-4H3,(H,29,30)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50173355
PNG
(1-(4-Methoxy-phenyl)-3-(3-trifluoromethyl-phenoxy)...)
Show SMILES COc1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C23H16F3NO4/c1-30-16-11-9-15(10-12-16)27-19-8-3-2-7-18(19)21(20(27)22(28)29)31-17-6-4-5-14(13-17)23(24,25)26/h2-13H,1H3,(H,28,29)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50173342
PNG
(1-(4-tert-Butyl-phenyl)-3-(3-hydroxy-phenoxy)-1H-i...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(O)c2)c2ccccc12
Show InChI InChI=1S/C25H23NO4/c1-25(2,3)16-11-13-17(14-12-16)26-21-10-5-4-9-20(21)23(22(26)24(28)29)30-19-8-6-7-18(27)15-19/h4-15,27H,1-3H3,(H,28,29)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50173367
PNG
(1-(4-tert-Butyl-phenyl)-5-hydroxy-3-(3-trifluorome...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2cc(O)ccc12
Show InChI InChI=1S/C26H22F3NO4/c1-25(2,3)15-7-9-17(10-8-15)30-21-12-11-18(31)14-20(21)23(22(30)24(32)33)34-19-6-4-5-16(13-19)26(27,28)29/h4-14,31H,1-3H3,(H,32,33)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50173370
PNG
(1-(4-tert-Butyl-phenyl)-3-(3-trifluoromethyl-pheno...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2cccnc12
Show InChI InChI=1S/C25H21F3N2O3/c1-24(2,3)15-9-11-17(12-10-15)30-20(23(31)32)21(19-8-5-13-29-22(19)30)33-18-7-4-6-16(14-18)25(26,27)28/h4-14H,1-3H3,(H,31,32)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50173368
PNG
(1-(4-tert-Butyl-phenyl)-6-chloro-3-[3-(4-trifluoro...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)-c2cc(c[nH]2)C(F)(F)F)c2ccc(Cl)nc12
Show InChI InChI=1S/C29H23ClF3N3O3/c1-28(2,3)17-7-9-19(10-8-17)36-24(27(37)38)25(21-11-12-23(30)35-26(21)36)39-20-6-4-5-16(13-20)22-14-18(15-34-22)29(31,32)33/h4-15,34H,1-3H3,(H,37,38)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50173345
PNG
(1-(4-tert-Butyl-phenyl)-3-[4-(4-trifluoromethyl-1H...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2ccc(cc2)-c2cc(c[nH]2)C(F)(F)F)c2cccnc12
Show InChI InChI=1S/C29H24F3N3O3/c1-28(2,3)18-8-10-20(11-9-18)35-24(27(36)37)25(22-5-4-14-33-26(22)35)38-21-12-6-17(7-13-21)23-15-19(16-34-23)29(30,31)32/h4-16,34H,1-3H3,(H,36,37)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50173352
PNG
(1-(4-tert-Butyl-phenyl)-3-(3-ethoxy-phenoxy)-1H-in...)
Show SMILES CCOc1cccc(Oc2c(C(O)=O)n(-c3ccc(cc3)C(C)(C)C)c3ccccc23)c1
Show InChI InChI=1S/C27H27NO4/c1-5-31-20-9-8-10-21(17-20)32-25-22-11-6-7-12-23(22)28(24(25)26(29)30)19-15-13-18(14-16-19)27(2,3)4/h6-17H,5H2,1-4H3,(H,29,30)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50173360
PNG
(3-(3-Hydroxy-phenoxy)-1-(3-isopropyl-phenyl)-1H-in...)
Show SMILES CC(C)c1cccc(c1)-n1c(C(O)=O)c(Oc2cccc(O)c2)c2ccccc12
Show InChI InChI=1S/C24H21NO4/c1-15(2)16-7-5-8-17(13-16)25-21-12-4-3-11-20(21)23(22(25)24(27)28)29-19-10-6-9-18(26)14-19/h3-15,26H,1-2H3,(H,27,28)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173356
PNG
(1-(4-tert-Butyl-phenyl)-5-(4-chloro-1H-pyrrol-2-yl...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2cc(Oc3cc(Cl)c[nH]3)ccc12
Show InChI InChI=1S/C30H24ClF3N2O4/c1-29(2,3)17-7-9-20(10-8-17)36-24-12-11-22(39-25-14-19(31)16-35-25)15-23(24)27(26(36)28(37)38)40-21-6-4-5-18(13-21)30(32,33)34/h4-16,35H,1-3H3,(H,37,38)
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n/an/an/an/a 2n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective agonist concentration for human PPAR gamma Gal4 construct in transactivation assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173354
PNG
(1-(4-tert-Butyl-phenyl)-5-isobutoxy-3-(3-trifluoro...)
Show SMILES CC(C)COc1ccc2n(c(C(O)=O)c(Oc3cccc(c3)C(F)(F)F)c2c1)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C30H30F3NO4/c1-18(2)17-37-22-13-14-25-24(16-22)27(38-23-8-6-7-20(15-23)30(31,32)33)26(28(35)36)34(25)21-11-9-19(10-12-21)29(3,4)5/h6-16,18H,17H2,1-5H3,(H,35,36)
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n/an/an/an/a 91n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective agonist concentration for human PPAR gamma Gal4 construct in transactivation assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173366
PNG
(1-(4-tert-Butyl-phenyl)-5-chloro-3-(3-trifluoromet...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2cc(Cl)ccc12
Show InChI InChI=1S/C26H21ClF3NO3/c1-25(2,3)15-7-10-18(11-8-15)31-21-12-9-17(27)14-20(21)23(22(31)24(32)33)34-19-6-4-5-16(13-19)26(28,29)30/h4-14H,1-3H3,(H,32,33)
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n/an/an/an/a 136n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective agonist concentration for human PPAR gamma Gal4 construct in transactivation assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173345
PNG
(1-(4-tert-Butyl-phenyl)-3-[4-(4-trifluoromethyl-1H...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2ccc(cc2)-c2cc(c[nH]2)C(F)(F)F)c2cccnc12
Show InChI InChI=1S/C29H24F3N3O3/c1-28(2,3)18-8-10-20(11-9-18)35-24(27(36)37)25(22-5-4-14-33-26(22)35)38-21-12-6-17(7-13-21)23-15-19(16-34-23)29(30,31)32/h4-16,34H,1-3H3,(H,36,37)
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n/an/an/an/a 34n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective agonist concentration for human PPAR gamma Gal4 construct in transactivation assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173355
PNG
(1-(4-Methoxy-phenyl)-3-(3-trifluoromethyl-phenoxy)...)
Show SMILES COc1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C23H16F3NO4/c1-30-16-11-9-15(10-12-16)27-19-8-3-2-7-18(19)21(20(27)22(28)29)31-17-6-4-5-14(13-17)23(24,25)26/h2-13H,1H3,(H,28,29)
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n/an/an/an/a 334n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective agonist concentration for human PPAR gamma Gal4 construct in transactivation assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173361
PNG
(1-(4-tert-Butyl-phenyl)-6-methoxy-3-(3-trifluorome...)
Show SMILES COc1ccc2c(Oc3cccc(c3)C(F)(F)F)c(C(O)=O)n(-c3ccc(cc3)C(C)(C)C)c2n1
Show InChI InChI=1S/C26H23F3N2O4/c1-25(2,3)15-8-10-17(11-9-15)31-21(24(32)33)22(19-12-13-20(34-4)30-23(19)31)35-18-7-5-6-16(14-18)26(27,28)29/h5-14H,1-4H3,(H,32,33)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective agonist concentration for human PPAR gamma Gal4 construct in transactivation assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173349
PNG
(1-(4-tert-Butyl-phenyl)-6-chloro-3-(3-trifluoromet...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2ccc(Cl)cc12
Show InChI InChI=1S/C26H21ClF3NO3/c1-25(2,3)15-7-10-18(11-8-15)31-21-14-17(27)9-12-20(21)23(22(31)24(32)33)34-19-6-4-5-16(13-19)26(28,29)30/h4-14H,1-3H3,(H,32,33)
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n/an/an/an/a 106n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective agonist concentration for human PPAR gamma Gal4 construct in transactivation assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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n/an/an/an/a 22n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective agonist concentration for human PPAR gamma Gal4 construct in transactivation assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173370
PNG
(1-(4-tert-Butyl-phenyl)-3-(3-trifluoromethyl-pheno...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2cccnc12
Show InChI InChI=1S/C25H21F3N2O3/c1-24(2,3)15-9-11-17(12-10-15)30-20(23(31)32)21(19-8-5-13-29-22(19)30)33-18-7-4-6-16(14-18)25(26,27)28/h4-14H,1-3H3,(H,31,32)
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n/an/an/an/a 464n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective agonist concentration for human PPAR gamma Gal4 construct in transactivation assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173352
PNG
(1-(4-tert-Butyl-phenyl)-3-(3-ethoxy-phenoxy)-1H-in...)
Show SMILES CCOc1cccc(Oc2c(C(O)=O)n(-c3ccc(cc3)C(C)(C)C)c3ccccc23)c1
Show InChI InChI=1S/C27H27NO4/c1-5-31-20-9-8-10-21(17-20)32-25-22-11-6-7-12-23(22)28(24(25)26(29)30)19-15-13-18(14-16-19)27(2,3)4/h6-17H,5H2,1-4H3,(H,29,30)
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n/an/an/an/a 233n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective agonist concentration for human PPAR gamma Gal4 construct in transactivation assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173344
PNG
(1-(4-tert-Butyl-phenyl)-3-(3-trifluoromethyl-pheno...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2cc(Oc3cc(c[nH]3)C(F)(F)F)ccc12
Show InChI InChI=1S/C31H24F6N2O4/c1-29(2,3)17-7-9-20(10-8-17)39-24-12-11-22(42-25-14-19(16-38-25)31(35,36)37)15-23(24)27(26(39)28(40)41)43-21-6-4-5-18(13-21)30(32,33)34/h4-16,38H,1-3H3,(H,40,41)
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n/an/an/an/a 6n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective agonist concentration for human PPAR gamma Gal4 construct in transactivation assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173342
PNG
(1-(4-tert-Butyl-phenyl)-3-(3-hydroxy-phenoxy)-1H-i...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(O)c2)c2ccccc12
Show InChI InChI=1S/C25H23NO4/c1-25(2,3)16-11-13-17(14-12-16)26-21-10-5-4-9-20(21)23(22(26)24(28)29)30-19-8-6-7-18(27)15-19/h4-15,27H,1-3H3,(H,28,29)
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n/an/an/an/a 161n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective agonist concentration for human PPAR gamma Gal4 construct in transactivation assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173365
PNG
(5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDO...)
Show SMILES OC(=O)c1c(Sc2ccccc2)c2cc(Cl)ccc2n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C22H15Cl2NO2S/c23-15-8-6-14(7-9-15)13-25-19-11-10-16(24)12-18(19)21(20(25)22(26)27)28-17-4-2-1-3-5-17/h1-12H,13H2,(H,26,27)
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n/an/an/an/a 55n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective agonist concentration for human PPAR gamma Gal4 construct in transactivation assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173347
PNG
(1-(4-tert-Butyl-phenyl)-3-(4-chloro-phenoxy)-6-tri...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc12
Show InChI InChI=1S/C26H21ClF3NO4/c1-25(2,3)15-4-8-17(9-5-15)31-21-14-19(35-26(28,29)30)12-13-20(21)23(22(31)24(32)33)34-18-10-6-16(27)7-11-18/h4-14H,1-3H3,(H,32,33)
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n/an/an/an/a 411n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective agonist concentration for human PPAR gamma Gal4 construct in transactivation assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173357
PNG
(1-(4-tert-Butyl-phenyl)-5-ethoxy-3-(3-trifluoromet...)
Show SMILES CCOc1ccc2n(c(C(O)=O)c(Oc3cccc(c3)C(F)(F)F)c2c1)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H26F3NO4/c1-5-35-20-13-14-23-22(16-20)25(36-21-8-6-7-18(15-21)28(29,30)31)24(26(33)34)32(23)19-11-9-17(10-12-19)27(2,3)4/h6-16H,5H2,1-4H3,(H,33,34)
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n/an/an/an/a 34n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective agonist concentration for human PPAR gamma Gal4 construct in transactivation assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173351
PNG
(1-(4-tert-Butyl-phenyl)-5-(1H-pyrrol-2-yloxy)-3-(3...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2cc(Oc3ccc[nH]3)ccc12
Show InChI InChI=1S/C30H25F3N2O4/c1-29(2,3)18-9-11-20(12-10-18)35-24-14-13-22(38-25-8-5-15-34-25)17-23(24)27(26(35)28(36)37)39-21-7-4-6-19(16-21)30(31,32)33/h4-17,34H,1-3H3,(H,36,37)
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n/an/an/an/a 126n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective agonist concentration for human PPAR gamma Gal4 construct in transactivation assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173353
PNG
(1-(4-tert-Butyl-phenyl)-6-chloro-3-(3-methoxy-phen...)
Show SMILES COc1cccc(Oc2c(C(O)=O)n(-c3ccc(cc3)C(C)(C)C)c3nc(Cl)ccc23)c1
Show InChI InChI=1S/C25H23ClN2O4/c1-25(2,3)15-8-10-16(11-9-15)28-21(24(29)30)22(19-12-13-20(26)27-23(19)28)32-18-7-5-6-17(14-18)31-4/h5-14H,1-4H3,(H,29,30)
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n/an/an/an/a 755n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective agonist concentration for human PPAR gamma Gal4 construct in transactivation assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173368
PNG
(1-(4-tert-Butyl-phenyl)-6-chloro-3-[3-(4-trifluoro...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)-c2cc(c[nH]2)C(F)(F)F)c2ccc(Cl)nc12
Show InChI InChI=1S/C29H23ClF3N3O3/c1-28(2,3)17-7-9-19(10-8-17)36-24(27(37)38)25(21-11-12-23(30)35-26(21)36)39-20-6-4-5-16(13-20)22-14-18(15-34-22)29(31,32)33/h4-15,34H,1-3H3,(H,37,38)
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n/an/an/an/a 95n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective agonist concentration for human PPAR gamma Gal4 construct in transactivation assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173359
PNG
(1-(4-tert-Butyl-phenyl)-3-(3-trifluoromethyl-pheno...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C26H22F3NO3/c1-25(2,3)16-11-13-18(14-12-16)30-21-10-5-4-9-20(21)23(22(30)24(31)32)33-19-8-6-7-17(15-19)26(27,28)29/h4-15H,1-3H3,(H,31,32)
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n/an/an/an/a 13n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective agonist concentration for human PPAR gamma Gal4 construct in transactivation assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50173362
PNG
(1-(4-tert-Butyl-phenyl)-6-chloro-3-(3-trifluoromet...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2ccc(Cl)nc12
Show InChI InChI=1S/C25H20ClF3N2O3/c1-24(2,3)14-7-9-16(10-8-14)31-20(23(32)33)21(18-11-12-19(26)30-22(18)31)34-17-6-4-5-15(13-17)25(27,28)29/h4-13H,1-3H3,(H,32,33)
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n/an/an/an/a 176n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective agonist concentration for human PPAR gamma Gal4 construct in transactivation assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%