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21 similar compounds to monomer 50173367

Compile data set for download or QSAR
Wt: 469.4
BDBM50173341
Wt: 401.4
BDBM50173342
Wt: 461.9
BDBM50173343
Wt: 602.5
BDBM50173344
Wt: 503.8
BDBM50173347
Wt: 522.3
BDBM50173348
Wt: 487.8
BDBM50173349
Wt: 439.4
BDBM50173350
Wt: 534.5
BDBM50173351
Wt: 429.5
BDBM50173352
Wt: 525.5
BDBM50173354
Wt: 427.3
BDBM50173355
Wt: 568.9
BDBM50173356
Wt: 497.5
BDBM50173357
Wt: 439.4
BDBM50173358
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 40 hits for monomerid = 50173341,50173342,50173343,50173344,50173347,50173348,50173349,50173350,50173351,50173352,50173354,50173355,50173356,50173357,50173358   
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))
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 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


(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))
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 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))
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


(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 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


(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 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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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))
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))
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))
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


(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 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))
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))
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


(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))
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 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


(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 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


(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))
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))
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 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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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


(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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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 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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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