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PubMed code 15603954

Compile data set for download or QSAR
Found 37 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))
BDBM50157931
PNG
(2-{2-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluorome...)
Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2ccccc2OC(C)(C)C(O)=O)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C29H26F3NO6/c1-17-22(15-19-7-5-6-8-25(19)39-28(2,3)27(35)36)23-16-21(38-29(30,31)32)13-14-24(23)33(17)26(34)18-9-11-20(37-4)12-10-18/h5-14,16H,15H2,1-4H3,(H,35,36)
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50157933
PNG
(2-{2-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluorome...)
Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2ccccc2OC(C)C(O)=O)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C28H24F3NO6/c1-16-22(14-19-6-4-5-7-25(19)37-17(2)27(34)35)23-15-21(38-28(29,30)31)12-13-24(23)32(16)26(33)18-8-10-20(36-3)11-9-18/h4-13,15,17H,14H2,1-3H3,(H,34,35)
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50157917
PNG
((2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFL...)
Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(O[C@@H](C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C28H24F3NO6/c1-16-23(14-18-5-4-6-21(13-18)37-17(2)27(34)35)24-15-22(38-28(29,30)31)11-12-25(24)32(16)26(33)19-7-9-20(36-3)10-8-19/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50157926
PNG
(2-{3-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluorome...)
Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(OC(C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C28H24F3NO6/c1-16-23(14-18-5-4-6-21(13-18)37-17(2)27(34)35)24-15-22(38-28(29,30)31)11-12-25(24)32(16)26(33)19-7-9-20(36-3)10-8-19/h4-13,15,17H,14H2,1-3H3,(H,34,35)
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50157936
PNG
((2S)-2-(2-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFL...)
Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2ccccc2O[C@@H](C)C(O)=O)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C28H24F3NO6/c1-16-22(14-19-6-4-5-7-25(19)37-17(2)27(34)35)23-15-21(38-28(29,30)31)12-13-24(23)32(16)26(33)18-8-10-20(36-3)11-9-18/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50157927
PNG
((R)-2-{3-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluo...)
Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(O[C@H](C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C28H24F3NO6/c1-16-23(14-18-5-4-6-21(13-18)37-17(2)27(34)35)24-15-22(38-28(29,30)31)11-12-25(24)32(16)26(33)19-7-9-20(36-3)10-8-19/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50157919
PNG
(2-{2-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluorome...)
Show SMILES CCC(Oc1ccccc1Cc1c(C)n(C(=O)c2ccc(OC)cc2)c2ccc(OC(F)(F)F)cc12)C(O)=O
Show InChI InChI=1S/C29H26F3NO6/c1-4-25(28(35)36)38-26-8-6-5-7-19(26)15-22-17(2)33(27(34)18-9-11-20(37-3)12-10-18)24-14-13-21(16-23(22)24)39-29(30,31)32/h5-14,16,25H,4,15H2,1-3H3,(H,35,36)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50157920
PNG
(2-{3-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluorome...)
Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(OC(C)(C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C29H26F3NO6/c1-17-23(15-18-6-5-7-21(14-18)38-28(2,3)27(35)36)24-16-22(39-29(30,31)32)12-13-25(24)33(17)26(34)19-8-10-20(37-4)11-9-19/h5-14,16H,15H2,1-4H3,(H,35,36)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50157925
PNG
(2-{3-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluorome...)
Show SMILES CCC(Oc1cccc(Cc2c(C)n(C(=O)c3ccc(OC)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C29H26F3NO6/c1-4-26(28(35)36)38-21-7-5-6-18(14-21)15-23-17(2)33(27(34)19-8-10-20(37-3)11-9-19)25-13-12-22(16-24(23)25)39-29(30,31)32/h5-14,16,26H,4,15H2,1-3H3,(H,35,36)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50157921
PNG
(2-{3-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluorome...)
Show SMILES CCCC(Oc1cccc(Cc2c(C)n(C(=O)c3ccc(OC)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C30H28F3NO6/c1-4-6-27(29(36)37)39-22-8-5-7-19(15-22)16-24-18(2)34(28(35)20-9-11-21(38-3)12-10-20)26-14-13-23(17-25(24)26)40-30(31,32)33/h5,7-15,17,27H,4,6,16H2,1-3H3,(H,36,37)
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50157932
PNG
((R)-2-{2-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluo...)
Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2ccccc2O[C@H](C)C(O)=O)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C28H24F3NO6/c1-16-22(14-19-6-4-5-7-25(19)37-17(2)27(34)35)23-15-21(38-28(29,30)31)12-13-24(23)32(16)26(33)18-8-10-20(36-3)11-9-18/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50157916
PNG
(2-{3-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-i...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3cccc(OC(C)(C)C(O)=O)c3)c2c1
Show InChI InChI=1S/C28H26ClNO5/c1-17-23(15-18-6-5-7-22(14-18)35-28(2,3)27(32)33)24-16-21(34-4)12-13-25(24)30(17)26(31)19-8-10-20(29)11-9-19/h5-14,16H,15H2,1-4H3,(H,32,33)
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n/an/a 45n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50157934
PNG
(2-{3-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-i...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3cccc(OC(C)C(O)=O)c3)c2c1
Show InChI InChI=1S/C27H24ClNO5/c1-16-23(14-18-5-4-6-22(13-18)34-17(2)27(31)32)24-15-21(33-3)11-12-25(24)29(16)26(30)19-7-9-20(28)10-8-19/h4-13,15,17H,14H2,1-3H3,(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
In vitro inhibition of human Peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50157918
PNG
(2-{2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-i...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3ccccc3OC(C)(C)C(O)=O)c2c1
Show InChI InChI=1S/C28H26ClNO5/c1-17-22(15-19-7-5-6-8-25(19)35-28(2,3)27(32)33)23-16-21(34-4)13-14-24(23)30(17)26(31)18-9-11-20(29)12-10-18/h5-14,16H,15H2,1-4H3,(H,32,33)
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n/an/a 79n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50157930
PNG
(2-{2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-i...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3ccccc3OC(C)C(O)=O)c2c1
Show InChI InChI=1S/C27H24ClNO5/c1-16-22(14-19-6-4-5-7-25(19)34-17(2)27(31)32)23-15-21(33-3)12-13-24(23)29(16)26(30)18-8-10-20(28)11-9-18/h4-13,15,17H,14H2,1-3H3,(H,31,32)
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n/an/a 84n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50157938
PNG
(CHEMBL178562 | {4-[1-(4-Chloro-benzoyl)-5-methoxy-...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3ccc(OCC(O)=O)cc3)c2c1
Show InChI InChI=1S/C26H22ClNO5/c1-16-22(13-17-3-9-20(10-4-17)33-15-25(29)30)23-14-21(32-2)11-12-24(23)28(16)26(31)18-5-7-19(27)8-6-18/h3-12,14H,13,15H2,1-2H3,(H,29,30)
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n/an/a 84n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50157929
PNG
(3-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3cccc(c3)C(O)=O)c2c1
Show InChI InChI=1S/C25H20ClNO4/c1-15-21(13-16-4-3-5-18(12-16)25(29)30)22-14-20(31-2)10-11-23(22)27(15)24(28)17-6-8-19(26)9-7-17/h3-12,14H,13H2,1-2H3,(H,29,30)
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n/an/a 208n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50157924
PNG
(CHEMBL181087 | {2-[1-(4-Chloro-benzoyl)-5-methoxy-...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3ccccc3OCC(O)=O)c2c1
Show InChI InChI=1S/C26H22ClNO5/c1-16-21(13-18-5-3-4-6-24(18)33-15-25(29)30)22-14-20(32-2)11-12-23(22)28(16)26(31)17-7-9-19(27)10-8-17/h3-12,14H,13,15H2,1-2H3,(H,29,30)
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n/an/a 333n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50157923
PNG
(2-{4-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-i...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3ccc(OC(C)(C)C(O)=O)cc3)c2c1
Show InChI InChI=1S/C28H26ClNO5/c1-17-23(15-18-5-11-21(12-6-18)35-28(2,3)27(32)33)24-16-22(34-4)13-14-25(24)30(17)26(31)19-7-9-20(29)10-8-19/h5-14,16H,15H2,1-4H3,(H,32,33)
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n/an/a 914n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50157922
PNG
(CHEMBL178245 | {3-[1-(4-Chloro-benzoyl)-5-methoxy-...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3cccc(OCC(O)=O)c3)c2c1
Show InChI InChI=1S/C26H22ClNO5/c1-16-22(13-17-4-3-5-21(12-17)33-15-25(29)30)23-14-20(32-2)10-11-24(23)28(16)26(31)18-6-8-19(27)9-7-18/h3-12,14H,13,15H2,1-2H3,(H,29,30)
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n/an/a 1.25E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor delta


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50157925
PNG
(2-{3-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluorome...)
Show SMILES CCC(Oc1cccc(Cc2c(C)n(C(=O)c3ccc(OC)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C29H26F3NO6/c1-4-26(28(35)36)38-21-7-5-6-18(14-21)15-23-17(2)33(27(34)19-8-10-20(37-3)11-9-19)25-13-12-22(16-24(23)25)39-29(30,31)32/h5-14,16,26H,4,15H2,1-3H3,(H,35,36)
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n/an/a 1.64E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor alpha


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50157927
PNG
((R)-2-{3-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluo...)
Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(O[C@H](C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C28H24F3NO6/c1-16-23(14-18-5-4-6-21(13-18)37-17(2)27(34)35)24-15-22(38-28(29,30)31)11-12-25(24)32(16)26(33)19-7-9-20(36-3)10-8-19/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m1/s1
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n/an/a 1.65E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor alpha


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50157937
PNG
(2-{4-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-i...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3ccc(OC(C)C(O)=O)cc3)c2c1
Show InChI InChI=1S/C27H24ClNO5/c1-16-23(14-18-4-10-21(11-5-18)34-17(2)27(31)32)24-15-22(33-3)12-13-25(24)29(16)26(30)19-6-8-20(28)9-7-19/h4-13,15,17H,14H2,1-3H3,(H,31,32)
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n/an/a 2.14E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50157921
PNG
(2-{3-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluorome...)
Show SMILES CCCC(Oc1cccc(Cc2c(C)n(C(=O)c3ccc(OC)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C30H28F3NO6/c1-4-6-27(29(36)37)39-22-8-5-7-19(15-22)16-24-18(2)34(28(35)20-9-11-21(38-3)12-10-20)26-14-13-23(17-25(24)26)40-30(31,32)33/h5,7-15,17,27H,4,6,16H2,1-3H3,(H,36,37)
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n/an/a 2.75E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor alpha


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50157920
PNG
(2-{3-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluorome...)
Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(OC(C)(C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C29H26F3NO6/c1-17-23(15-18-6-5-7-21(14-18)38-28(2,3)27(35)36)24-16-22(39-29(30,31)32)12-13-25(24)33(17)26(34)19-8-10-20(37-4)11-9-19/h5-14,16H,15H2,1-4H3,(H,35,36)
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n/an/a 2.77E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor alpha


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50157926
PNG
(2-{3-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluorome...)
Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(OC(C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C28H24F3NO6/c1-16-23(14-18-5-4-6-21(13-18)37-17(2)27(34)35)24-15-22(38-28(29,30)31)11-12-25(24)32(16)26(33)19-7-9-20(36-3)10-8-19/h4-13,15,17H,14H2,1-3H3,(H,34,35)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor alpha


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50157916
PNG
(2-{3-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-i...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3cccc(OC(C)(C)C(O)=O)c3)c2c1
Show InChI InChI=1S/C28H26ClNO5/c1-17-23(15-18-6-5-7-22(14-18)35-28(2,3)27(32)33)24-16-21(34-4)12-13-25(24)30(17)26(31)19-8-10-20(29)11-9-19/h5-14,16H,15H2,1-4H3,(H,32,33)
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n/an/a 4.22E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor delta


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50157935
PNG
(4-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3ccc(cc3)C(O)=O)c2c1
Show InChI InChI=1S/C25H20ClNO4/c1-15-21(13-16-3-5-18(6-4-16)25(29)30)22-14-20(31-2)11-12-23(22)27(15)24(28)17-7-9-19(26)10-8-17/h3-12,14H,13H2,1-2H3,(H,29,30)
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n/an/a 4.69E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50157928
PNG
(2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3ccccc3C(O)=O)c2c1
Show InChI InChI=1S/C25H20ClNO4/c1-15-21(13-17-5-3-4-6-20(17)25(29)30)22-14-19(31-2)11-12-23(22)27(15)24(28)16-7-9-18(26)10-8-16/h3-12,14H,13H2,1-2H3,(H,29,30)
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n/an/a 6.28E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50157922
PNG
(CHEMBL178245 | {3-[1-(4-Chloro-benzoyl)-5-methoxy-...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3cccc(OCC(O)=O)c3)c2c1
Show InChI InChI=1S/C26H22ClNO5/c1-16-22(13-17-4-3-5-21(12-17)33-15-25(29)30)23-14-20(32-2)10-11-24(23)28(16)26(31)18-6-8-19(27)9-7-18/h3-12,14H,13,15H2,1-2H3,(H,29,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50157917
PNG
((2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFL...)
Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(O[C@@H](C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C28H24F3NO6/c1-16-23(14-18-5-4-6-21(13-18)37-17(2)27(34)35)24-15-22(38-28(29,30)31)11-12-25(24)32(16)26(33)19-7-9-20(36-3)10-8-19/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m0/s1
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor alpha


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50157926
PNG
(2-{3-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluorome...)
Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(OC(C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C28H24F3NO6/c1-16-23(14-18-5-4-6-21(13-18)37-17(2)27(34)35)24-15-22(38-28(29,30)31)11-12-25(24)32(16)26(33)19-7-9-20(36-3)10-8-19/h4-13,15,17H,14H2,1-3H3,(H,34,35)
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor delta


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50157927
PNG
((R)-2-{3-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluo...)
Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(O[C@H](C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C28H24F3NO6/c1-16-23(14-18-5-4-6-21(13-18)37-17(2)27(34)35)24-15-22(38-28(29,30)31)11-12-25(24)32(16)26(33)19-7-9-20(36-3)10-8-19/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m1/s1
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor delta


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50157920
PNG
(2-{3-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluorome...)
Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(OC(C)(C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C29H26F3NO6/c1-17-23(15-18-6-5-7-21(14-18)38-28(2,3)27(35)36)24-16-22(39-29(30,31)32)12-13-25(24)33(17)26(34)19-8-10-20(37-4)11-9-19/h5-14,16H,15H2,1-4H3,(H,35,36)
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor delta


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50157925
PNG
(2-{3-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluorome...)
Show SMILES CCC(Oc1cccc(Cc2c(C)n(C(=O)c3ccc(OC)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C29H26F3NO6/c1-4-26(28(35)36)38-21-7-5-6-18(14-21)15-23-17(2)33(27(34)19-8-10-20(37-3)11-9-19)25-13-12-22(16-24(23)25)39-29(30,31)32/h5-14,16,26H,4,15H2,1-3H3,(H,35,36)
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor delta


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50157917
PNG
((2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFL...)
Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(O[C@@H](C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C28H24F3NO6/c1-16-23(14-18-5-4-6-21(13-18)37-17(2)27(34)35)24-15-22(38-28(29,30)31)11-12-25(24)32(16)26(33)19-7-9-20(36-3)10-8-19/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m0/s1
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Article
PubMed
n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor delta


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50157921
PNG
(2-{3-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluorome...)
Show SMILES CCCC(Oc1cccc(Cc2c(C)n(C(=O)c3ccc(OC)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C30H28F3NO6/c1-4-6-27(29(36)37)39-22-8-5-7-19(15-22)16-24-18(2)34(28(35)20-9-11-21(38-3)12-10-20)26-14-13-23(17-25(24)26)40-30(31,32)33/h5,7-15,17,27H,4,6,16H2,1-3H3,(H,36,37)
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UniChem

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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor delta


Bioorg Med Chem Lett 15: 357-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.068
BindingDB Entry DOI: 10.7270/Q27W6BNP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%