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PubMed code 22070604

Compile data set for download or QSAR
Found 150 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))
BDBM50362957
PNG
(CHEMBL1946757)
Show SMILES COc1ccc2c(noc2c1)-n1c2cc(ccc2n(Cc2ccc(Cl)c(O[C@H](C)C(O)=O)c2)c1=O)C(F)(F)F
Show InChI InChI=1S/C26H19ClF3N3O6/c1-13(24(34)35)38-22-9-14(3-7-18(22)27)12-32-19-8-4-15(26(28,29)30)10-20(19)33(25(32)36)23-17-6-5-16(37-2)11-21(17)39-31-23/h3-11,13H,12H2,1-2H3,(H,34,35)/t13-/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362956
PNG
(CHEMBL1946756)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(OC(F)(F)F)cc2n(Cc2ccc(Cl)c(O[C@H](C)C(O)=O)c2)c1=O
Show InChI InChI=1S/C26H19ClF3N3O7/c1-13(24(34)35)38-22-9-14(3-7-18(22)27)12-32-20-10-16(39-26(28,29)30)5-8-19(20)33(25(32)36)23-17-6-4-15(37-2)11-21(17)40-31-23/h3-11,13H,12H2,1-2H3,(H,34,35)/t13-/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362955
PNG
(CHEMBL1946755)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2ccc(Cl)c(O[C@H](C)C(O)=O)c2)c1=O)C(F)(F)F
Show InChI InChI=1S/C26H19ClF3N3O6/c1-13(24(34)35)38-22-9-14(3-7-18(22)27)12-32-20-10-15(26(28,29)30)4-8-19(20)33(25(32)36)23-17-6-5-16(37-2)11-21(17)39-31-23/h3-11,13H,12H2,1-2H3,(H,34,35)/t13-/m1/s1
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n/an/a 4.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362958
PNG
(CHEMBL1946758)
Show SMILES COc1ccc2c(noc2c1)-n1c2cc(OC(F)(F)F)ccc2n(Cc2ccc(Cl)c(O[C@H](C)C(O)=O)c2)c1=O
Show InChI InChI=1S/C26H19ClF3N3O7/c1-13(24(34)35)38-22-9-14(3-7-18(22)27)12-32-19-8-5-16(39-26(28,29)30)10-20(19)33(25(32)36)23-17-6-4-15(37-2)11-21(17)40-31-23/h3-11,13H,12H2,1-2H3,(H,34,35)/t13-/m1/s1
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n/an/a 4.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362953
PNG
(CHEMBL1947143)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2ccc(Cl)c(O[C@H](C)C(O)=O)c2)c1=O
Show InChI InChI=1S/C25H20ClN3O6/c1-14(24(30)31)34-22-11-15(7-10-18(22)26)13-28-19-5-3-4-6-20(19)29(25(28)32)23-17-9-8-16(33-2)12-21(17)35-27-23/h3-12,14H,13H2,1-2H3,(H,30,31)/t14-/m1/s1
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n/an/a 6.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362967
PNG
(CHEMBL1947142)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2cc(ccc2Cl)[C@@]2(C)OC(O)=NC2=O)c1=O)C(F)(F)F
Show InChI InChI=1S/C27H18ClF3N4O6/c1-26(23(36)32-24(37)40-26)14-3-7-18(28)13(9-14)12-34-20-10-15(27(29,30)31)4-8-19(20)35(25(34)38)22-17-6-5-16(39-2)11-21(17)41-33-22/h3-11H,12H2,1-2H3,(H,32,36,37)/t26-/m1/s1
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n/an/a 7.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362960
PNG
(CHEMBL1946953)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2cc(O[C@H](C)C(O)=O)ccc2Cl)c1=O)C(F)(F)F
Show InChI InChI=1S/C26H19ClF3N3O6/c1-13(24(34)35)38-17-5-7-19(27)14(9-17)12-32-21-10-15(26(28,29)30)3-8-20(21)33(25(32)36)23-18-6-4-16(37-2)11-22(18)39-31-23/h3-11,13H,12H2,1-2H3,(H,34,35)/t13-/m1/s1
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n/an/a 9.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362972
PNG
(CHEMBL1946571)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3noc4c(C)cccc34)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C26H19ClF3N3O5/c1-13-4-3-5-17-22(13)38-31-23(17)33-19-9-7-16(26(28,29)30)11-20(19)32(25(33)36)12-15-6-8-18(27)21(10-15)37-14(2)24(34)35/h3-11,14H,12H2,1-2H3,(H,34,35)/t14-/m1/s1
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n/an/a 9.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362949
PNG
(CHEMBL1947147)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cc(ccc2Cl)[C@@]2(C)OC(O)=NC2=O)c1=O
Show InChI InChI=1S/C26H19ClN4O6/c1-26(23(32)28-24(33)36-26)15-7-10-18(27)14(11-15)13-30-19-5-3-4-6-20(19)31(25(30)34)22-17-9-8-16(35-2)12-21(17)37-29-22/h3-12H,13H2,1-2H3,(H,28,32,33)/t26-/m1/s1
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n/an/a 9.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362973
PNG
(CHEMBL1946572)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3noc4ccc(C)cc34)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C26H19ClF3N3O5/c1-13-3-8-21-17(9-13)23(31-38-21)33-19-7-5-16(26(28,29)30)11-20(19)32(25(33)36)12-15-4-6-18(27)22(10-15)37-14(2)24(34)35/h3-11,14H,12H2,1-2H3,(H,34,35)/t14-/m1/s1
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n/an/a 11.2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362948
PNG
(CHEMBL1947146)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cc(O[C@H](C)C(O)=O)ccc2Cl)c1=O
Show InChI InChI=1S/C25H20ClN3O6/c1-14(24(30)31)34-17-8-10-19(26)15(11-17)13-28-20-5-3-4-6-21(20)29(25(28)32)23-18-9-7-16(33-2)12-22(18)35-27-23/h3-12,14H,13H2,1-2H3,(H,30,31)/t14-/m1/s1
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n/an/a 13.7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362974
PNG
(CHEMBL1946753)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3noc4cc(C)ccc34)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C26H19ClF3N3O5/c1-13-3-6-17-21(9-13)38-31-23(17)33-19-8-5-16(26(28,29)30)11-20(19)32(25(33)36)12-15-4-7-18(27)22(10-15)37-14(2)24(34)35/h3-11,14H,12H2,1-2H3,(H,34,35)/t14-/m1/s1
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n/an/a 14.2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362975
PNG
(CHEMBL1946754)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3noc4ccc(Cl)cc34)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C25H16Cl2F3N3O5/c1-12(23(34)35)37-21-8-13(2-5-17(21)27)11-32-19-9-14(25(28,29)30)3-6-18(19)33(24(32)36)22-16-10-15(26)4-7-20(16)38-31-22/h2-10,12H,11H2,1H3,(H,34,35)/t12-/m1/s1
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n/an/a 35.4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362968
PNG
(CHEMBL1947145)
Show SMILES C[C@@]1(OC(O)=NC1=O)c1cccc(Cn2c3ccccc3n(-c3noc4cc(Cl)ccc34)c2=O)c1
Show InChI InChI=1S/C25H17ClN4O5/c1-25(22(31)27-23(32)34-25)15-6-4-5-14(11-15)13-29-18-7-2-3-8-19(18)30(24(29)33)21-17-10-9-16(26)12-20(17)35-28-21/h2-12H,13H2,1H3,(H,27,31,32)/t25-/m1/s1
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n/an/a 49.1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362959
PNG
(CHEMBL1946952)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2ccc(Cl)c(O[C@@H](C)C(O)=O)c2)c1=O)C(F)(F)F
Show InChI InChI=1S/C26H19ClF3N3O6/c1-13(24(34)35)38-22-9-14(3-7-18(22)27)12-32-20-10-15(26(28,29)30)4-8-19(20)33(25(32)36)23-17-6-5-16(37-2)11-21(17)39-31-23/h3-11,13H,12H2,1-2H3,(H,34,35)/t13-/m0/s1
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n/an/a 66n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362952
PNG
(CHEMBL1946570)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3noc4cc(Cl)ccc34)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C25H16Cl2F3N3O5/c1-12(23(34)35)37-21-8-13(2-6-17(21)27)11-32-19-9-14(25(28,29)30)3-7-18(19)33(24(32)36)22-16-5-4-15(26)10-20(16)38-31-22/h2-10,12H,11H2,1H3,(H,34,35)/t12-/m1/s1
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n/an/a 68n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362954
PNG
(CHEMBL1947144)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cccc(c2)[C@@]2(C)OC(O)=NC2=O)c1=O
Show InChI InChI=1S/C26H20N4O6/c1-26(23(31)27-24(32)35-26)16-7-5-6-15(12-16)14-29-19-8-3-4-9-20(19)30(25(29)33)22-18-11-10-17(34-2)13-21(18)36-28-22/h3-13H,14H2,1-2H3,(H,27,31,32)/t26-/m1/s1
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n/an/a 83.1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362965
PNG
(CHEMBL1947140)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2cccc(c2)[C@@]2(C)OC(O)=NC2=O)c1=O)C(F)(F)F
Show InChI InChI=1S/C27H19F3N4O6/c1-26(23(35)31-24(36)39-26)15-5-3-4-14(10-15)13-33-20-11-16(27(28,29)30)6-9-19(20)34(25(33)37)22-18-8-7-17(38-2)12-21(18)40-32-22/h3-12H,13H2,1-2H3,(H,31,35,36)/t26-/m1/s1
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n/an/a 93n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362951
PNG
(CHEMBL1946568)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3ccc(cc3)C(C)(C)C)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C28H26ClF3N2O4/c1-16(25(35)36)38-24-13-17(5-11-21(24)29)15-33-23-14-19(28(30,31)32)8-12-22(23)34(26(33)37)20-9-6-18(7-10-20)27(2,3)4/h5-14,16H,15H2,1-4H3,(H,35,36)/t16-/m1/s1
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n/an/a 161n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362970
PNG
(CHEMBL1946567)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(C(=O)c3ccc(Cl)cc3)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C25H17Cl2F3N2O5/c1-13(23(34)35)37-21-10-14(2-8-18(21)27)12-31-20-11-16(25(28,29)30)5-9-19(20)32(24(31)36)22(33)15-3-6-17(26)7-4-15/h2-11,13H,12H2,1H3,(H,34,35)/t13-/m1/s1
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n/an/a 255n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362961
PNG
(CHEMBL1946954)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2cccc(O[C@H](C)C(O)=O)c2)c1=O)C(F)(F)F
Show InChI InChI=1S/C26H20F3N3O6/c1-14(24(33)34)37-18-5-3-4-15(10-18)13-31-21-11-16(26(27,28)29)6-9-20(21)32(25(31)35)23-19-8-7-17(36-2)12-22(19)38-30-23/h3-12,14H,13H2,1-2H3,(H,33,34)/t14-/m1/s1
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n/an/a 924n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362971
PNG
(CHEMBL1946569)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3nc4ccc(Cl)cc4s3)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C25H16Cl2F3N3O4S/c1-12(22(34)35)37-20-8-13(2-5-16(20)27)11-32-19-9-14(25(28,29)30)3-7-18(19)33(24(32)36)23-31-17-6-4-15(26)10-21(17)38-23/h2-10,12H,11H2,1H3,(H,34,35)/t12-/m1/s1
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n/an/a 1.37E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50362954
PNG
(CHEMBL1947144)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cccc(c2)[C@@]2(C)OC(O)=NC2=O)c1=O
Show InChI InChI=1S/C26H20N4O6/c1-26(23(31)27-24(32)35-26)16-7-5-6-15(12-16)14-29-19-8-3-4-9-20(19)30(25(29)33)22-18-11-10-17(34-2)13-21(18)36-28-22/h3-13H,14H2,1-2H3,(H,27,31,32)/t26-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362964
PNG
(CHEMBL1947139)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2ccc(cc2)[C@@]2(C)OC(O)=NC2=O)c1=O)C(F)(F)F
Show InChI InChI=1S/C27H19F3N4O6/c1-26(23(35)31-24(36)39-26)15-5-3-14(4-6-15)13-33-20-11-16(27(28,29)30)7-10-19(20)34(25(33)37)22-18-9-8-17(38-2)12-21(18)40-32-22/h3-12H,13H2,1-2H3,(H,31,35,36)/t26-/m1/s1
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n/an/a 2.18E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362962
PNG
(CHEMBL1946955)
Show SMILES CC[C@@H](Oc1cccc(Cn2c3cc(ccc3n(-c3noc4cc(OC)ccc34)c2=O)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C27H22F3N3O6/c1-3-22(25(34)35)38-18-6-4-5-15(11-18)14-32-21-12-16(27(28,29)30)7-10-20(21)33(26(32)36)24-19-9-8-17(37-2)13-23(19)39-31-24/h4-13,22H,3,14H2,1-2H3,(H,34,35)/t22-/m1/s1
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n/an/a 3.66E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362969
PNG
(CHEMBL1946566)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(Cc3ccc(Cl)cc3)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C25H19Cl2F3N2O4/c1-14(23(33)34)36-22-10-16(4-8-19(22)27)13-32-21-11-17(25(28,29)30)5-9-20(21)31(24(32)35)12-15-2-6-18(26)7-3-15/h2-11,14H,12-13H2,1H3,(H,33,34)/t14-/m1/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362963
PNG
(CHEMBL1947138)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2ccccc2[C@@]2(C)OC(O)=NC2=O)c1=O)C(F)(F)F
Show InChI InChI=1S/C27H19F3N4O6/c1-26(23(35)31-24(36)39-26)18-6-4-3-5-14(18)13-33-20-11-15(27(28,29)30)7-10-19(20)34(25(33)37)22-17-9-8-16(38-2)12-21(17)40-32-22/h3-12H,13H2,1-2H3,(H,31,35,36)/t26-/m1/s1
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n/an/a 6.63E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362966
PNG
(CHEMBL1947141)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(cc2n(-c2cccc(c2)[C@@]2(C)OC(O)=NC2=O)c1=O)C(F)(F)F
Show InChI InChI=1S/C26H17F3N4O6/c1-25(22(34)30-23(35)38-25)13-4-3-5-15(10-13)32-19-11-14(26(27,28)29)6-9-18(19)33(24(32)36)21-17-8-7-16(37-2)12-20(17)39-31-21/h3-12H,1-2H3,(H,30,34,35)/t25-/m1/s1
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n/an/a 6.94E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50362954
PNG
(CHEMBL1947144)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cccc(c2)[C@@]2(C)OC(O)=NC2=O)c1=O
Show InChI InChI=1S/C26H20N4O6/c1-26(23(31)27-24(32)35-26)16-7-5-6-15(12-16)14-29-19-8-3-4-9-20(19)30(25(29)33)22-18-11-10-17(34-2)13-21(18)36-28-22/h3-13H,14H2,1-2H3,(H,27,31,32)/t26-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50362954
PNG
(CHEMBL1947144)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cccc(c2)[C@@]2(C)OC(O)=NC2=O)c1=O
Show InChI InChI=1S/C26H20N4O6/c1-26(23(31)27-24(32)35-26)16-7-5-6-15(12-16)14-29-19-8-3-4-9-20(19)30(25(29)33)22-18-11-10-17(34-2)13-21(18)36-28-22/h3-13H,14H2,1-2H3,(H,27,31,32)/t26-/m1/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50362971
PNG
(CHEMBL1946569)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3nc4ccc(Cl)cc4s3)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C25H16Cl2F3N3O4S/c1-12(22(34)35)37-20-8-13(2-5-16(20)27)11-32-19-9-14(25(28,29)30)3-7-18(19)33(24(32)36)23-31-17-6-4-15(26)10-21(17)38-23/h2-10,12H,11H2,1H3,(H,34,35)/t12-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARalpha expressed in COS-1 by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50362965
PNG
(CHEMBL1947140)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2cccc(c2)[C@@]2(C)OC(O)=NC2=O)c1=O)C(F)(F)F
Show InChI InChI=1S/C27H19F3N4O6/c1-26(23(35)31-24(36)39-26)15-5-3-4-14(10-15)13-33-20-11-16(27(28,29)30)6-9-19(20)34(25(33)37)22-18-8-7-17(38-2)12-21(18)40-32-22/h3-12H,13H2,1-2H3,(H,31,35,36)/t26-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARalpha expressed in COS-1 by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50362953
PNG
(CHEMBL1947143)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2ccc(Cl)c(O[C@H](C)C(O)=O)c2)c1=O
Show InChI InChI=1S/C25H20ClN3O6/c1-14(24(30)31)34-22-11-15(7-10-18(22)26)13-28-19-5-3-4-6-20(19)29(25(28)32)23-17-9-8-16(33-2)12-21(17)35-27-23/h3-12,14H,13H2,1-2H3,(H,30,31)/t14-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARalpha expressed in COS-1 by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50362957
PNG
(CHEMBL1946757)
Show SMILES COc1ccc2c(noc2c1)-n1c2cc(ccc2n(Cc2ccc(Cl)c(O[C@H](C)C(O)=O)c2)c1=O)C(F)(F)F
Show InChI InChI=1S/C26H19ClF3N3O6/c1-13(24(34)35)38-22-9-14(3-7-18(22)27)12-32-19-8-4-15(26(28,29)30)10-20(19)33(25(32)36)23-17-6-5-16(37-2)11-21(17)39-31-23/h3-11,13H,12H2,1-2H3,(H,34,35)/t13-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50362952
PNG
(CHEMBL1946570)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3noc4cc(Cl)ccc34)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C25H16Cl2F3N3O5/c1-12(23(34)35)37-21-8-13(2-6-17(21)27)11-32-19-9-14(25(28,29)30)3-7-18(19)33(24(32)36)22-16-5-4-15(26)10-20(16)38-31-22/h2-10,12H,11H2,1H3,(H,34,35)/t12-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARalpha expressed in COS-1 by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50362963
PNG
(CHEMBL1947138)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2ccccc2[C@@]2(C)OC(O)=NC2=O)c1=O)C(F)(F)F
Show InChI InChI=1S/C27H19F3N4O6/c1-26(23(35)31-24(36)39-26)18-6-4-3-5-14(18)13-33-20-11-15(27(28,29)30)7-10-19(20)34(25(33)37)22-17-9-8-16(38-2)12-21(17)40-32-22/h3-12H,13H2,1-2H3,(H,31,35,36)/t26-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARalpha expressed in COS-1 by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50362964
PNG
(CHEMBL1947139)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2ccc(cc2)[C@@]2(C)OC(O)=NC2=O)c1=O)C(F)(F)F
Show InChI InChI=1S/C27H19F3N4O6/c1-26(23(35)31-24(36)39-26)15-5-3-14(4-6-15)13-33-20-11-16(27(28,29)30)7-10-19(20)34(25(33)37)22-18-9-8-17(38-2)12-21(18)40-32-22/h3-12H,13H2,1-2H3,(H,31,35,36)/t26-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARalpha expressed in COS-1 by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50362967
PNG
(CHEMBL1947142)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2cc(ccc2Cl)[C@@]2(C)OC(O)=NC2=O)c1=O)C(F)(F)F
Show InChI InChI=1S/C27H18ClF3N4O6/c1-26(23(36)32-24(37)40-26)14-3-7-18(28)13(9-14)12-34-20-10-15(27(29,30)31)4-8-19(20)35(25(34)38)22-17-6-5-16(39-2)11-21(17)41-33-22/h3-11H,12H2,1-2H3,(H,32,36,37)/t26-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARalpha expressed in COS-1 by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50362969
PNG
(CHEMBL1946566)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(Cc3ccc(Cl)cc3)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C25H19Cl2F3N2O4/c1-14(23(33)34)36-22-10-16(4-8-19(22)27)13-32-21-11-17(25(28,29)30)5-9-20(21)31(24(32)35)12-15-2-6-18(26)7-3-15/h2-11,14H,12-13H2,1H3,(H,33,34)/t14-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50362970
PNG
(CHEMBL1946567)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(C(=O)c3ccc(Cl)cc3)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C25H17Cl2F3N2O5/c1-13(23(34)35)37-21-10-14(2-8-18(21)27)12-31-20-11-16(25(28,29)30)5-9-19(20)32(24(31)36)22(33)15-3-6-17(26)7-4-15/h2-11,13H,12H2,1H3,(H,34,35)/t13-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50362967
PNG
(CHEMBL1947142)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2cc(ccc2Cl)[C@@]2(C)OC(O)=NC2=O)c1=O)C(F)(F)F
Show InChI InChI=1S/C27H18ClF3N4O6/c1-26(23(36)32-24(37)40-26)14-3-7-18(28)13(9-14)12-34-20-10-15(27(29,30)31)4-8-19(20)35(25(34)38)22-17-6-5-16(39-2)11-21(17)41-33-22/h3-11H,12H2,1-2H3,(H,32,36,37)/t26-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50362954
PNG
(CHEMBL1947144)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cccc(c2)[C@@]2(C)OC(O)=NC2=O)c1=O
Show InChI InChI=1S/C26H20N4O6/c1-26(23(31)27-24(32)35-26)16-7-5-6-15(12-16)14-29-19-8-3-4-9-20(19)30(25(29)33)22-18-11-10-17(34-2)13-21(18)36-28-22/h3-13H,14H2,1-2H3,(H,27,31,32)/t26-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50362973
PNG
(CHEMBL1946572)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3noc4ccc(C)cc34)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C26H19ClF3N3O5/c1-13-3-8-21-17(9-13)23(31-38-21)33-19-7-5-16(26(28,29)30)11-20(19)32(25(33)36)12-15-4-6-18(27)22(10-15)37-14(2)24(34)35/h3-11,14H,12H2,1-2H3,(H,34,35)/t14-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50362974
PNG
(CHEMBL1946753)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3noc4cc(C)ccc34)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C26H19ClF3N3O5/c1-13-3-6-17-21(9-13)38-31-23(17)33-19-8-5-16(26(28,29)30)11-20(19)32(25(33)36)12-15-4-7-18(27)22(10-15)37-14(2)24(34)35/h3-11,14H,12H2,1-2H3,(H,34,35)/t14-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50362955
PNG
(CHEMBL1946755)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2ccc(Cl)c(O[C@H](C)C(O)=O)c2)c1=O)C(F)(F)F
Show InChI InChI=1S/C26H19ClF3N3O6/c1-13(24(34)35)38-22-9-14(3-7-18(22)27)12-32-20-10-15(26(28,29)30)4-8-19(20)33(25(32)36)23-17-6-5-16(37-2)11-21(17)39-31-23/h3-11,13H,12H2,1-2H3,(H,34,35)/t13-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50362959
PNG
(CHEMBL1946952)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2ccc(Cl)c(O[C@@H](C)C(O)=O)c2)c1=O)C(F)(F)F
Show InChI InChI=1S/C26H19ClF3N3O6/c1-13(24(34)35)38-22-9-14(3-7-18(22)27)12-32-20-10-15(26(28,29)30)4-8-19(20)33(25(32)36)23-17-6-5-16(37-2)11-21(17)39-31-23/h3-11,13H,12H2,1-2H3,(H,34,35)/t13-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50362962
PNG
(CHEMBL1946955)
Show SMILES CC[C@@H](Oc1cccc(Cn2c3cc(ccc3n(-c3noc4cc(OC)ccc34)c2=O)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C27H22F3N3O6/c1-3-22(25(34)35)38-18-6-4-5-15(11-18)14-32-21-12-16(27(28,29)30)7-10-20(21)33(26(32)36)24-19-9-8-17(37-2)13-23(19)39-31-24/h4-13,22H,3,14H2,1-2H3,(H,34,35)/t22-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50362964
PNG
(CHEMBL1947139)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2ccc(cc2)[C@@]2(C)OC(O)=NC2=O)c1=O)C(F)(F)F
Show InChI InChI=1S/C27H19F3N4O6/c1-26(23(35)31-24(36)39-26)15-5-3-14(4-6-15)13-33-20-11-16(27(28,29)30)7-10-19(20)34(25(33)37)22-18-9-8-17(38-2)12-21(18)40-32-22/h3-12H,13H2,1-2H3,(H,31,35,36)/t26-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50362965
PNG
(CHEMBL1947140)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2cccc(c2)[C@@]2(C)OC(O)=NC2=O)c1=O)C(F)(F)F
Show InChI InChI=1S/C27H19F3N4O6/c1-26(23(35)31-24(36)39-26)15-5-3-4-14(10-15)13-33-20-11-16(27(28,29)30)6-9-19(20)34(25(33)37)22-18-8-7-17(38-2)12-21(18)40-32-22/h3-12H,13H2,1-2H3,(H,31,35,36)/t26-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50362966
PNG
(CHEMBL1947141)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(cc2n(-c2cccc(c2)[C@@]2(C)OC(O)=NC2=O)c1=O)C(F)(F)F
Show InChI InChI=1S/C26H17F3N4O6/c1-25(22(34)30-23(35)38-25)13-4-3-5-15(10-13)32-19-11-14(26(27,28)29)6-9-18(19)33(24(32)36)21-17-8-7-16(37-2)12-20(17)39-31-21/h3-12H,1-2H3,(H,30,34,35)/t25-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50362951
PNG
(CHEMBL1946568)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3ccc(cc3)C(C)(C)C)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C28H26ClF3N2O4/c1-16(25(35)36)38-24-13-17(5-11-21(24)29)15-33-23-14-19(28(30,31)32)8-12-22(23)34(26(33)37)20-9-6-18(7-10-20)27(2,3)4/h5-14,16H,15H2,1-4H3,(H,35,36)/t16-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARalpha expressed in COS-1 by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50362951
PNG
(CHEMBL1946568)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3ccc(cc3)C(C)(C)C)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C28H26ClF3N2O4/c1-16(25(35)36)38-24-13-17(5-11-21(24)29)15-33-23-14-19(28(30,31)32)8-12-22(23)34(26(33)37)20-9-6-18(7-10-20)27(2,3)4/h5-14,16H,15H2,1-4H3,(H,35,36)/t16-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50362952
PNG
(CHEMBL1946570)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3noc4cc(Cl)ccc34)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C25H16Cl2F3N3O5/c1-12(23(34)35)37-21-8-13(2-6-17(21)27)11-32-19-9-14(25(28,29)30)3-7-18(19)33(24(32)36)22-16-5-4-15(26)10-20(16)38-31-22/h2-10,12H,11H2,1H3,(H,34,35)/t12-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50362960
PNG
(CHEMBL1946953)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2cc(O[C@H](C)C(O)=O)ccc2Cl)c1=O)C(F)(F)F
Show InChI InChI=1S/C26H19ClF3N3O6/c1-13(24(34)35)38-17-5-7-19(27)14(9-17)12-32-21-10-15(26(28,29)30)3-8-20(21)33(25(32)36)23-18-6-4-16(37-2)11-22(18)39-31-23/h3-11,13H,12H2,1-2H3,(H,34,35)/t13-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50362963
PNG
(CHEMBL1947138)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2ccccc2[C@@]2(C)OC(O)=NC2=O)c1=O)C(F)(F)F
Show InChI InChI=1S/C27H19F3N4O6/c1-26(23(35)31-24(36)39-26)18-6-4-3-5-14(18)13-33-20-11-15(27(28,29)30)7-10-19(20)34(25(33)37)22-17-9-8-16(38-2)12-21(17)40-32-22/h3-12H,13H2,1-2H3,(H,31,35,36)/t26-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50362957
PNG
(CHEMBL1946757)
Show SMILES COc1ccc2c(noc2c1)-n1c2cc(ccc2n(Cc2ccc(Cl)c(O[C@H](C)C(O)=O)c2)c1=O)C(F)(F)F
Show InChI InChI=1S/C26H19ClF3N3O6/c1-13(24(34)35)38-22-9-14(3-7-18(22)27)12-32-19-8-4-15(26(28,29)30)10-20(19)33(25(32)36)23-17-6-5-16(37-2)11-21(17)39-31-23/h3-11,13H,12H2,1-2H3,(H,34,35)/t13-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARalpha expressed in COS-1 by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50362959
PNG
(CHEMBL1946952)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2ccc(Cl)c(O[C@@H](C)C(O)=O)c2)c1=O)C(F)(F)F
Show InChI InChI=1S/C26H19ClF3N3O6/c1-13(24(34)35)38-22-9-14(3-7-18(22)27)12-32-20-10-15(26(28,29)30)4-8-19(20)33(25(32)36)23-17-6-5-16(37-2)11-21(17)39-31-23/h3-11,13H,12H2,1-2H3,(H,34,35)/t13-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARalpha expressed in COS-1 by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50362972
PNG
(CHEMBL1946571)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3noc4c(C)cccc34)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C26H19ClF3N3O5/c1-13-4-3-5-17-22(13)38-31-23(17)33-19-9-7-16(26(28,29)30)11-20(19)32(25(33)36)12-15-6-8-18(27)21(10-15)37-14(2)24(34)35/h3-11,14H,12H2,1-2H3,(H,34,35)/t14-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50362956
PNG
(CHEMBL1946756)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(OC(F)(F)F)cc2n(Cc2ccc(Cl)c(O[C@H](C)C(O)=O)c2)c1=O
Show InChI InChI=1S/C26H19ClF3N3O7/c1-13(24(34)35)38-22-9-14(3-7-18(22)27)12-32-20-10-16(39-26(28,29)30)5-8-19(20)33(25(32)36)23-17-6-4-15(37-2)11-21(17)40-31-23/h3-11,13H,12H2,1-2H3,(H,34,35)/t13-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50362958
PNG
(CHEMBL1946758)
Show SMILES COc1ccc2c(noc2c1)-n1c2cc(OC(F)(F)F)ccc2n(Cc2ccc(Cl)c(O[C@H](C)C(O)=O)c2)c1=O
Show InChI InChI=1S/C26H19ClF3N3O7/c1-13(24(34)35)38-22-9-14(3-7-18(22)27)12-32-19-8-5-16(39-26(28,29)30)10-20(19)33(25(32)36)23-17-6-4-15(37-2)11-21(17)40-31-23/h3-11,13H,12H2,1-2H3,(H,34,35)/t13-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50362969
PNG
(CHEMBL1946566)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(Cc3ccc(Cl)cc3)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C25H19Cl2F3N2O4/c1-14(23(33)34)36-22-10-16(4-8-19(22)27)13-32-21-11-17(25(28,29)30)5-9-20(21)31(24(32)35)12-15-2-6-18(26)7-3-15/h2-11,14H,12-13H2,1H3,(H,33,34)/t14-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARalpha expressed in COS-1 by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50362973
PNG
(CHEMBL1946572)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3noc4ccc(C)cc34)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C26H19ClF3N3O5/c1-13-3-8-21-17(9-13)23(31-38-21)33-19-7-5-16(26(28,29)30)11-20(19)32(25(33)36)12-15-4-6-18(27)22(10-15)37-14(2)24(34)35/h3-11,14H,12H2,1-2H3,(H,34,35)/t14-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARalpha expressed in COS-1 by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50362974
PNG
(CHEMBL1946753)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3noc4cc(C)ccc34)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C26H19ClF3N3O5/c1-13-3-6-17-21(9-13)38-31-23(17)33-19-8-5-16(26(28,29)30)11-20(19)32(25(33)36)12-15-4-7-18(27)22(10-15)37-14(2)24(34)35/h3-11,14H,12H2,1-2H3,(H,34,35)/t14-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARalpha expressed in COS-1 by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50362955
PNG
(CHEMBL1946755)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2ccc(Cl)c(O[C@H](C)C(O)=O)c2)c1=O)C(F)(F)F
Show InChI InChI=1S/C26H19ClF3N3O6/c1-13(24(34)35)38-22-9-14(3-7-18(22)27)12-32-20-10-15(26(28,29)30)4-8-19(20)33(25(32)36)23-17-6-5-16(37-2)11-21(17)39-31-23/h3-11,13H,12H2,1-2H3,(H,34,35)/t13-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARalpha expressed in COS-1 by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50362962
PNG
(CHEMBL1946955)
Show SMILES CC[C@@H](Oc1cccc(Cn2c3cc(ccc3n(-c3noc4cc(OC)ccc34)c2=O)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C27H22F3N3O6/c1-3-22(25(34)35)38-18-6-4-5-15(11-18)14-32-21-12-16(27(28,29)30)7-10-20(21)33(26(32)36)24-19-9-8-17(37-2)13-23(19)39-31-24/h4-13,22H,3,14H2,1-2H3,(H,34,35)/t22-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARalpha expressed in COS-1 by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50362948
PNG
(CHEMBL1947146)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cc(O[C@H](C)C(O)=O)ccc2Cl)c1=O
Show InChI InChI=1S/C25H20ClN3O6/c1-14(24(30)31)34-17-8-10-19(26)15(11-17)13-28-20-5-3-4-6-21(20)29(25(28)32)23-18-9-7-16(33-2)12-22(18)35-27-23/h3-12,14H,13H2,1-2H3,(H,30,31)/t14-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARalpha expressed in COS-1 by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50362961
PNG
(CHEMBL1946954)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2cccc(O[C@H](C)C(O)=O)c2)c1=O)C(F)(F)F
Show InChI InChI=1S/C26H20F3N3O6/c1-14(24(33)34)37-18-5-3-4-15(10-18)13-31-21-11-16(26(27,28)29)6-9-20(21)32(25(31)35)23-19-8-7-17(36-2)12-22(19)38-30-23/h3-12,14H,13H2,1-2H3,(H,33,34)/t14-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50362948
PNG
(CHEMBL1947146)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cc(O[C@H](C)C(O)=O)ccc2Cl)c1=O
Show InChI InChI=1S/C25H20ClN3O6/c1-14(24(30)31)34-17-8-10-19(26)15(11-17)13-28-20-5-3-4-6-21(20)29(25(28)32)23-18-9-7-16(33-2)12-22(18)35-27-23/h3-12,14H,13H2,1-2H3,(H,30,31)/t14-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50362949
PNG
(CHEMBL1947147)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cc(ccc2Cl)[C@@]2(C)OC(O)=NC2=O)c1=O
Show InChI InChI=1S/C26H19ClN4O6/c1-26(23(32)28-24(33)36-26)15-7-10-18(27)14(11-15)13-30-19-5-3-4-6-20(19)31(25(30)34)22-17-9-8-16(35-2)12-21(17)37-29-22/h3-12H,13H2,1-2H3,(H,28,32,33)/t26-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50362958
PNG
(CHEMBL1946758)
Show SMILES COc1ccc2c(noc2c1)-n1c2cc(OC(F)(F)F)ccc2n(Cc2ccc(Cl)c(O[C@H](C)C(O)=O)c2)c1=O
Show InChI InChI=1S/C26H19ClF3N3O7/c1-13(24(34)35)38-22-9-14(3-7-18(22)27)12-32-19-8-5-16(39-26(28,29)30)10-20(19)33(25(32)36)23-17-6-4-15(37-2)11-21(17)40-31-23/h3-11,13H,12H2,1-2H3,(H,34,35)/t13-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARalpha expressed in COS-1 by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50362970
PNG
(CHEMBL1946567)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(C(=O)c3ccc(Cl)cc3)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C25H17Cl2F3N2O5/c1-13(23(34)35)37-21-10-14(2-8-18(21)27)12-31-20-11-16(25(28,29)30)5-9-19(20)32(24(31)36)22(33)15-3-6-17(26)7-4-15/h2-11,13H,12H2,1H3,(H,34,35)/t13-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARalpha expressed in COS-1 by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50362972
PNG
(CHEMBL1946571)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3noc4c(C)cccc34)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C26H19ClF3N3O5/c1-13-4-3-5-17-22(13)38-31-23(17)33-19-9-7-16(26(28,29)30)11-20(19)32(25(33)36)12-15-6-8-18(27)21(10-15)37-14(2)24(34)35/h3-11,14H,12H2,1-2H3,(H,34,35)/t14-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARalpha expressed in COS-1 by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50362956
PNG
(CHEMBL1946756)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(OC(F)(F)F)cc2n(Cc2ccc(Cl)c(O[C@H](C)C(O)=O)c2)c1=O
Show InChI InChI=1S/C26H19ClF3N3O7/c1-13(24(34)35)38-22-9-14(3-7-18(22)27)12-32-20-10-16(39-26(28,29)30)5-8-19(20)33(25(32)36)23-17-6-4-15(37-2)11-21(17)40-31-23/h3-11,13H,12H2,1-2H3,(H,34,35)/t13-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARalpha expressed in COS-1 by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50362960
PNG
(CHEMBL1946953)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2cc(O[C@H](C)C(O)=O)ccc2Cl)c1=O)C(F)(F)F
Show InChI InChI=1S/C26H19ClF3N3O6/c1-13(24(34)35)38-17-5-7-19(27)14(9-17)12-32-21-10-15(26(28,29)30)3-8-20(21)33(25(32)36)23-18-6-4-16(37-2)11-22(18)39-31-23/h3-11,13H,12H2,1-2H3,(H,34,35)/t13-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARalpha expressed in COS-1 by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50362961
PNG
(CHEMBL1946954)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2cccc(O[C@H](C)C(O)=O)c2)c1=O)C(F)(F)F
Show InChI InChI=1S/C26H20F3N3O6/c1-14(24(33)34)37-18-5-3-4-15(10-18)13-31-21-11-16(26(27,28)29)6-9-20(21)32(25(31)35)23-19-8-7-17(36-2)12-22(19)38-30-23/h3-12,14H,13H2,1-2H3,(H,33,34)/t14-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARalpha expressed in COS-1 by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50362966
PNG
(CHEMBL1947141)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(cc2n(-c2cccc(c2)[C@@]2(C)OC(O)=NC2=O)c1=O)C(F)(F)F
Show InChI InChI=1S/C26H17F3N4O6/c1-25(22(34)30-23(35)38-25)13-4-3-5-15(10-13)32-19-11-14(26(27,28)29)6-9-18(19)33(24(32)36)21-17-8-7-16(37-2)12-20(17)39-31-21/h3-12H,1-2H3,(H,30,34,35)/t25-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARalpha expressed in COS-1 by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50362949
PNG
(CHEMBL1947147)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cc(ccc2Cl)[C@@]2(C)OC(O)=NC2=O)c1=O
Show InChI InChI=1S/C26H19ClN4O6/c1-26(23(32)28-24(33)36-26)15-7-10-18(27)14(11-15)13-30-19-5-3-4-6-20(19)31(25(30)34)22-17-9-8-16(35-2)12-21(17)37-29-22/h3-12H,13H2,1-2H3,(H,28,32,33)/t26-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARalpha expressed in COS-1 by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50362971
PNG
(CHEMBL1946569)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3nc4ccc(Cl)cc4s3)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C25H16Cl2F3N3O4S/c1-12(22(34)35)37-20-8-13(2-5-16(20)27)11-32-19-9-14(25(28,29)30)3-7-18(19)33(24(32)36)23-31-17-6-4-15(26)10-21(17)38-23/h2-10,12H,11H2,1H3,(H,34,35)/t12-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50362975
PNG
(CHEMBL1946754)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3noc4ccc(Cl)cc34)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C25H16Cl2F3N3O5/c1-12(23(34)35)37-21-8-13(2-5-17(21)27)11-32-19-9-14(25(28,29)30)3-6-18(19)33(24(32)36)22-16-10-15(26)4-7-20(16)38-31-22/h2-10,12H,11H2,1H3,(H,34,35)/t12-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50362953
PNG
(CHEMBL1947143)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2ccc(Cl)c(O[C@H](C)C(O)=O)c2)c1=O
Show InChI InChI=1S/C25H20ClN3O6/c1-14(24(30)31)34-22-11-15(7-10-18(22)26)13-28-19-5-3-4-6-20(19)29(25(28)32)23-17-9-8-16(33-2)12-21(17)35-27-23/h3-12,14H,13H2,1-2H3,(H,30,31)/t14-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50362968
PNG
(CHEMBL1947145)
Show SMILES C[C@@]1(OC(O)=NC1=O)c1cccc(Cn2c3ccccc3n(-c3noc4cc(Cl)ccc34)c2=O)c1
Show InChI InChI=1S/C25H17ClN4O5/c1-25(22(31)27-23(32)34-25)15-6-4-5-14(11-15)13-29-18-7-2-3-8-19(18)30(24(29)33)21-17-10-9-16(26)12-20(17)35-28-21/h2-12H,13H2,1H3,(H,27,31,32)/t25-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50362975
PNG
(CHEMBL1946754)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3noc4ccc(Cl)cc34)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C25H16Cl2F3N3O5/c1-12(23(34)35)37-21-8-13(2-5-17(21)27)11-32-19-9-14(25(28,29)30)3-6-18(19)33(24(32)36)22-16-10-15(26)4-7-20(16)38-31-22/h2-10,12H,11H2,1H3,(H,34,35)/t12-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARalpha expressed in COS-1 by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50362954
PNG
(CHEMBL1947144)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cccc(c2)[C@@]2(C)OC(O)=NC2=O)c1=O
Show InChI InChI=1S/C26H20N4O6/c1-26(23(31)27-24(32)35-26)16-7-5-6-15(12-16)14-29-19-8-3-4-9-20(19)30(25(29)33)22-18-11-10-17(34-2)13-21(18)36-28-22/h3-13H,14H2,1-2H3,(H,27,31,32)/t26-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARalpha expressed in COS-1 by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50362968
PNG
(CHEMBL1947145)
Show SMILES C[C@@]1(OC(O)=NC1=O)c1cccc(Cn2c3ccccc3n(-c3noc4cc(Cl)ccc34)c2=O)c1
Show InChI InChI=1S/C25H17ClN4O5/c1-25(22(31)27-23(32)34-25)15-6-4-5-14(11-15)13-29-18-7-2-3-8-19(18)30(24(29)33)21-17-10-9-16(26)12-20(17)35-28-21/h2-12H,13H2,1H3,(H,27,31,32)/t25-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPARalpha expressed in COS-1 by scintillation proximity assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50362954
PNG
(CHEMBL1947144)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cccc(c2)[C@@]2(C)OC(O)=NC2=O)c1=O
Show InChI InChI=1S/C26H20N4O6/c1-26(23(31)27-24(32)35-26)16-7-5-6-15(12-16)14-29-19-8-3-4-9-20(19)30(25(29)33)22-18-11-10-17(34-2)13-21(18)36-28-22/h3-13H,14H2,1-2H3,(H,27,31,32)/t26-/m1/s1
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n/an/a 9.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50244809
PNG
((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1
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n/an/an/an/a 5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of PGC1 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362955
PNG
(CHEMBL1946755)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2ccc(Cl)c(O[C@H](C)C(O)=O)c2)c1=O)C(F)(F)F
Show InChI InChI=1S/C26H19ClF3N3O6/c1-13(24(34)35)38-22-9-14(3-7-18(22)27)12-32-20-10-15(26(28,29)30)4-8-19(20)33(25(32)36)23-17-6-5-16(37-2)11-21(17)39-31-23/h3-11,13H,12H2,1-2H3,(H,34,35)/t13-/m1/s1
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n/an/an/an/a 103n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in COS-1 cells co-expressing with Gal4 by transactivation assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362958
PNG
(CHEMBL1946758)
Show SMILES COc1ccc2c(noc2c1)-n1c2cc(OC(F)(F)F)ccc2n(Cc2ccc(Cl)c(O[C@H](C)C(O)=O)c2)c1=O
Show InChI InChI=1S/C26H19ClF3N3O7/c1-13(24(34)35)38-22-9-14(3-7-18(22)27)12-32-19-8-5-16(39-26(28,29)30)10-20(19)33(25(32)36)23-17-6-4-15(37-2)11-21(17)40-31-23/h3-11,13H,12H2,1-2H3,(H,34,35)/t13-/m1/s1
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n/an/an/an/a 13.2n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in COS-1 cells co-expressing with Gal4 by transactivation assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362959
PNG
(CHEMBL1946952)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2ccc(Cl)c(O[C@@H](C)C(O)=O)c2)c1=O)C(F)(F)F
Show InChI InChI=1S/C26H19ClF3N3O6/c1-13(24(34)35)38-22-9-14(3-7-18(22)27)12-32-20-10-15(26(28,29)30)4-8-19(20)33(25(32)36)23-17-6-5-16(37-2)11-21(17)39-31-23/h3-11,13H,12H2,1-2H3,(H,34,35)/t13-/m0/s1
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n/an/an/an/a 3.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in COS-1 cells co-expressing with Gal4 by transactivation assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362967
PNG
(CHEMBL1947142)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2cc(ccc2Cl)[C@@]2(C)OC(O)=NC2=O)c1=O)C(F)(F)F
Show InChI InChI=1S/C27H18ClF3N4O6/c1-26(23(36)32-24(37)40-26)14-3-7-18(28)13(9-14)12-34-20-10-15(27(29,30)31)4-8-19(20)35(25(34)38)22-17-6-5-16(39-2)11-21(17)41-33-22/h3-11H,12H2,1-2H3,(H,32,36,37)/t26-/m1/s1
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n/an/an/an/a 17n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in COS-1 cells co-expressing with Gal4 by transactivation assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362953
PNG
(CHEMBL1947143)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2ccc(Cl)c(O[C@H](C)C(O)=O)c2)c1=O
Show InChI InChI=1S/C25H20ClN3O6/c1-14(24(30)31)34-22-11-15(7-10-18(22)26)13-28-19-5-3-4-6-20(19)29(25(28)32)23-17-9-8-16(33-2)12-21(17)35-27-23/h3-12,14H,13H2,1-2H3,(H,30,31)/t14-/m1/s1
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n/an/an/an/a 28.1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in COS-1 cells co-expressing with Gal4 by transactivation assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362949
PNG
(CHEMBL1947147)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cc(ccc2Cl)[C@@]2(C)OC(O)=NC2=O)c1=O
Show InChI InChI=1S/C26H19ClN4O6/c1-26(23(32)28-24(33)36-26)15-7-10-18(27)14(11-15)13-30-19-5-3-4-6-20(19)31(25(30)34)22-17-9-8-16(35-2)12-21(17)37-29-22/h3-12H,13H2,1-2H3,(H,28,32,33)/t26-/m1/s1
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n/an/an/an/a 2n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of PGC1 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
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 200n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of Src-1 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362950
PNG
(CHEMBL1946409)
Show SMILES CN(CCOc1ccc(C[C@H](OCC(F)(F)F)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C21H21F3N2O5/c1-26(20-25-16-4-2-3-5-17(16)31-20)10-11-29-15-8-6-14(7-9-15)12-18(19(27)28)30-13-21(22,23)24/h2-9,18H,10-13H2,1H3,(H,27,28)/t18-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of Src-1 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362953
PNG
(CHEMBL1947143)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2ccc(Cl)c(O[C@H](C)C(O)=O)c2)c1=O
Show InChI InChI=1S/C25H20ClN3O6/c1-14(24(30)31)34-22-11-15(7-10-18(22)26)13-28-19-5-3-4-6-20(19)29(25(28)32)23-17-9-8-16(33-2)12-21(17)35-27-23/h3-12,14H,13H2,1-2H3,(H,30,31)/t14-/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of Src-1 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50085044
PNG
((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of PBP by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50244809
PNG
((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1
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n/an/an/an/a 5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of PBP by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50085044
PNG
((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1
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n/an/an/an/a 5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of CBP1-453 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50293847
PNG
((2R)-2-{3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES CC(C)[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C29H25ClF3NO5/c1-16(2)27(28(36)37)38-21-6-4-5-18(13-21)15-34-17(3)25(26(35)19-7-9-20(30)10-8-19)23-12-11-22(14-24(23)34)39-29(31,32)33/h4-14,16,27H,15H2,1-3H3,(H,36,37)/t27-/m1/s1
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n/an/an/an/a 7n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of CBP1-453 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362952
PNG
(CHEMBL1946570)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3noc4cc(Cl)ccc34)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C25H16Cl2F3N3O5/c1-12(23(34)35)37-21-8-13(2-6-17(21)27)11-32-19-9-14(25(28,29)30)3-7-18(19)33(24(32)36)22-16-5-4-15(26)10-20(16)38-31-22/h2-10,12H,11H2,1H3,(H,34,35)/t12-/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of CBP1-453 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362953
PNG
(CHEMBL1947143)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2ccc(Cl)c(O[C@H](C)C(O)=O)c2)c1=O
Show InChI InChI=1S/C25H20ClN3O6/c1-14(24(30)31)34-22-11-15(7-10-18(22)26)13-28-19-5-3-4-6-20(19)29(25(28)32)23-17-9-8-16(33-2)12-21(17)35-27-23/h3-12,14H,13H2,1-2H3,(H,30,31)/t14-/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of CBP1-453 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362949
PNG
(CHEMBL1947147)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cc(ccc2Cl)[C@@]2(C)OC(O)=NC2=O)c1=O
Show InChI InChI=1S/C26H19ClN4O6/c1-26(23(32)28-24(33)36-26)15-7-10-18(27)14(11-15)13-30-19-5-3-4-6-20(19)31(25(30)34)22-17-9-8-16(35-2)12-21(17)37-29-22/h3-12H,13H2,1-2H3,(H,28,32,33)/t26-/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of CBP1-453 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362950
PNG
(CHEMBL1946409)
Show SMILES CN(CCOc1ccc(C[C@H](OCC(F)(F)F)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C21H21F3N2O5/c1-26(20-25-16-4-2-3-5-17(16)31-20)10-11-29-15-8-6-14(7-9-15)12-18(19(27)28)30-13-21(22,23)24/h2-9,18H,10-13H2,1H3,(H,27,28)/t18-/m0/s1
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n/an/an/an/a 1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of PGC1 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362951
PNG
(CHEMBL1946568)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3ccc(cc3)C(C)(C)C)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C28H26ClF3N2O4/c1-16(25(35)36)38-24-13-17(5-11-21(24)29)15-33-23-14-19(28(30,31)32)8-12-22(23)34(26(33)37)20-9-6-18(7-10-20)27(2,3)4/h5-14,16H,15H2,1-4H3,(H,35,36)/t16-/m1/s1
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n/an/an/an/a 135n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in COS-1 cells co-expressing with Gal4 by transactivation assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362960
PNG
(CHEMBL1946953)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2cc(O[C@H](C)C(O)=O)ccc2Cl)c1=O)C(F)(F)F
Show InChI InChI=1S/C26H19ClF3N3O6/c1-13(24(34)35)38-17-5-7-19(27)14(9-17)12-32-21-10-15(26(28,29)30)3-8-20(21)33(25(32)36)23-18-6-4-16(37-2)11-22(18)39-31-23/h3-11,13H,12H2,1-2H3,(H,34,35)/t13-/m1/s1
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n/an/an/an/a 102n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in COS-1 cells co-expressing with Gal4 by transactivation assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362965
PNG
(CHEMBL1947140)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2cccc(c2)[C@@]2(C)OC(O)=NC2=O)c1=O)C(F)(F)F
Show InChI InChI=1S/C27H19F3N4O6/c1-26(23(35)31-24(36)39-26)15-5-3-4-14(10-15)13-33-20-11-16(27(28,29)30)6-9-19(20)34(25(33)37)22-18-8-7-17(38-2)12-21(18)40-32-22/h3-12H,13H2,1-2H3,(H,31,35,36)/t26-/m1/s1
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n/an/an/an/a 237n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in COS-1 cells co-expressing with Gal4 by transactivation assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50293847
PNG
((2R)-2-{3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES CC(C)[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C29H25ClF3NO5/c1-16(2)27(28(36)37)38-21-6-4-5-18(13-21)15-34-17(3)25(26(35)19-7-9-20(30)10-8-19)23-12-11-22(14-24(23)34)39-29(31,32)33/h4-14,16,27H,15H2,1-3H3,(H,36,37)/t27-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of PGC1 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362950
PNG
(CHEMBL1946409)
Show SMILES CN(CCOc1ccc(C[C@H](OCC(F)(F)F)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C21H21F3N2O5/c1-26(20-25-16-4-2-3-5-17(16)31-20)10-11-29-15-8-6-14(7-9-15)12-18(19(27)28)30-13-21(22,23)24/h2-9,18H,10-13H2,1H3,(H,27,28)/t18-/m0/s1
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n/an/an/an/a 1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of PBP by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362948
PNG
(CHEMBL1947146)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cc(O[C@H](C)C(O)=O)ccc2Cl)c1=O
Show InChI InChI=1S/C25H20ClN3O6/c1-14(24(30)31)34-17-8-10-19(26)15(11-17)13-28-20-5-3-4-6-21(20)29(25(28)32)23-18-9-7-16(33-2)12-22(18)35-27-23/h3-12,14H,13H2,1-2H3,(H,30,31)/t14-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of PBP by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362954
PNG
(CHEMBL1947144)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cccc(c2)[C@@]2(C)OC(O)=NC2=O)c1=O
Show InChI InChI=1S/C26H20N4O6/c1-26(23(31)27-24(32)35-26)16-7-5-6-15(12-16)14-29-19-8-3-4-9-20(19)30(25(29)33)22-18-11-10-17(34-2)13-21(18)36-28-22/h3-13H,14H2,1-2H3,(H,27,31,32)/t26-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of CBP1-453 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50085044
PNG
((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1
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n/an/an/an/a 4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of PGC1 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362975
PNG
(CHEMBL1946754)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3noc4ccc(Cl)cc34)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C25H16Cl2F3N3O5/c1-12(23(34)35)37-21-8-13(2-5-17(21)27)11-32-19-9-14(25(28,29)30)3-6-18(19)33(24(32)36)22-16-10-15(26)4-7-20(16)38-31-22/h2-10,12H,11H2,1H3,(H,34,35)/t12-/m1/s1
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n/an/an/an/a 120n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in COS-1 cells co-expressing with Gal4 by transactivation assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362954
PNG
(CHEMBL1947144)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cccc(c2)[C@@]2(C)OC(O)=NC2=O)c1=O
Show InChI InChI=1S/C26H20N4O6/c1-26(23(31)27-24(32)35-26)16-7-5-6-15(12-16)14-29-19-8-3-4-9-20(19)30(25(29)33)22-18-11-10-17(34-2)13-21(18)36-28-22/h3-13H,14H2,1-2H3,(H,27,31,32)/t26-/m1/s1
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n/an/an/an/a 360n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in COS-1 cells co-expressing with Gal4 by transactivation assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362952
PNG
(CHEMBL1946570)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3noc4cc(Cl)ccc34)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C25H16Cl2F3N3O5/c1-12(23(34)35)37-21-8-13(2-6-17(21)27)11-32-19-9-14(25(28,29)30)3-7-18(19)33(24(32)36)22-16-5-4-15(26)10-20(16)38-31-22/h2-10,12H,11H2,1H3,(H,34,35)/t12-/m1/s1
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n/an/an/an/a 3.24E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of PGC1 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362949
PNG
(CHEMBL1947147)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cc(ccc2Cl)[C@@]2(C)OC(O)=NC2=O)c1=O
Show InChI InChI=1S/C26H19ClN4O6/c1-26(23(32)28-24(33)36-26)15-7-10-18(27)14(11-15)13-30-19-5-3-4-6-20(19)31(25(30)34)22-17-9-8-16(35-2)12-21(17)37-29-22/h3-12H,13H2,1-2H3,(H,28,32,33)/t26-/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of Src-1 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362949
PNG
(CHEMBL1947147)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cc(ccc2Cl)[C@@]2(C)OC(O)=NC2=O)c1=O
Show InChI InChI=1S/C26H19ClN4O6/c1-26(23(32)28-24(33)36-26)15-7-10-18(27)14(11-15)13-30-19-5-3-4-6-20(19)31(25(30)34)22-17-9-8-16(35-2)12-21(17)37-29-22/h3-12H,13H2,1-2H3,(H,28,32,33)/t26-/m1/s1
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n/an/an/an/a 1.82E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of PBP by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362950
PNG
(CHEMBL1946409)
Show SMILES CN(CCOc1ccc(C[C@H](OCC(F)(F)F)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C21H21F3N2O5/c1-26(20-25-16-4-2-3-5-17(16)31-20)10-11-29-15-8-6-14(7-9-15)12-18(19(27)28)30-13-21(22,23)24/h2-9,18H,10-13H2,1H3,(H,27,28)/t18-/m0/s1
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n/an/an/an/a 1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of CBP1-453 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
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 110n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of PGC1 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362974
PNG
(CHEMBL1946753)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3noc4cc(C)ccc34)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C26H19ClF3N3O5/c1-13-3-6-17-21(9-13)38-31-23(17)33-19-8-5-16(26(28,29)30)11-20(19)32(25(33)36)12-15-4-7-18(27)22(10-15)37-14(2)24(34)35/h3-11,14H,12H2,1-2H3,(H,34,35)/t14-/m1/s1
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n/an/an/an/a 77.5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in COS-1 cells co-expressing with Gal4 by transactivation assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362949
PNG
(CHEMBL1947147)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cc(ccc2Cl)[C@@]2(C)OC(O)=NC2=O)c1=O
Show InChI InChI=1S/C26H19ClN4O6/c1-26(23(32)28-24(33)36-26)15-7-10-18(27)14(11-15)13-30-19-5-3-4-6-20(19)31(25(30)34)22-17-9-8-16(35-2)12-21(17)37-29-22/h3-12H,13H2,1-2H3,(H,28,32,33)/t26-/m1/s1
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n/an/an/an/a 9.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in COS-1 cells co-expressing with Gal4 by transactivation assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362948
PNG
(CHEMBL1947146)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cc(O[C@H](C)C(O)=O)ccc2Cl)c1=O
Show InChI InChI=1S/C25H20ClN3O6/c1-14(24(30)31)34-17-8-10-19(26)15(11-17)13-28-20-5-3-4-6-21(20)29(25(28)32)23-18-9-7-16(33-2)12-22(18)35-27-23/h3-12,14H,13H2,1-2H3,(H,30,31)/t14-/m1/s1
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n/an/an/an/a 8n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of PGC1 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50085044
PNG
((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1
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n/an/an/an/a 6n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of Src-1 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50244809
PNG
((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of Src-1 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362951
PNG
(CHEMBL1946568)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3ccc(cc3)C(C)(C)C)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C28H26ClF3N2O4/c1-16(25(35)36)38-24-13-17(5-11-21(24)29)15-33-23-14-19(28(30,31)32)8-12-22(23)34(26(33)37)20-9-6-18(7-10-20)27(2,3)4/h5-14,16H,15H2,1-4H3,(H,35,36)/t16-/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of Src-1 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362952
PNG
(CHEMBL1946570)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3noc4cc(Cl)ccc34)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C25H16Cl2F3N3O5/c1-12(23(34)35)37-21-8-13(2-6-17(21)27)11-32-19-9-14(25(28,29)30)3-7-18(19)33(24(32)36)22-16-5-4-15(26)10-20(16)38-31-22/h2-10,12H,11H2,1H3,(H,34,35)/t12-/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of Src-1 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362954
PNG
(CHEMBL1947144)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cccc(c2)[C@@]2(C)OC(O)=NC2=O)c1=O
Show InChI InChI=1S/C26H20N4O6/c1-26(23(31)27-24(32)35-26)16-7-5-6-15(12-16)14-29-19-8-3-4-9-20(19)30(25(29)33)22-18-11-10-17(34-2)13-21(18)36-28-22/h3-13H,14H2,1-2H3,(H,27,31,32)/t26-/m1/s1
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n/an/an/an/a 10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of PBP by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362968
PNG
(CHEMBL1947145)
Show SMILES C[C@@]1(OC(O)=NC1=O)c1cccc(Cn2c3ccccc3n(-c3noc4cc(Cl)ccc34)c2=O)c1
Show InChI InChI=1S/C25H17ClN4O5/c1-25(22(31)27-23(32)34-25)15-6-4-5-14(11-15)13-29-18-7-2-3-8-19(18)30(24(29)33)21-17-10-9-16(26)12-20(17)35-28-21/h2-12H,13H2,1H3,(H,27,31,32)/t25-/m1/s1
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n/an/an/an/a 102n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in COS-1 cells co-expressing with Gal4 by transactivation assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362951
PNG
(CHEMBL1946568)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3ccc(cc3)C(C)(C)C)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C28H26ClF3N2O4/c1-16(25(35)36)38-24-13-17(5-11-21(24)29)15-33-23-14-19(28(30,31)32)8-12-22(23)34(26(33)37)20-9-6-18(7-10-20)27(2,3)4/h5-14,16H,15H2,1-4H3,(H,35,36)/t16-/m1/s1
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n/an/an/an/a 460n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of PGC1 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362954
PNG
(CHEMBL1947144)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cccc(c2)[C@@]2(C)OC(O)=NC2=O)c1=O
Show InChI InChI=1S/C26H20N4O6/c1-26(23(31)27-24(32)35-26)16-7-5-6-15(12-16)14-29-19-8-3-4-9-20(19)30(25(29)33)22-18-11-10-17(34-2)13-21(18)36-28-22/h3-13H,14H2,1-2H3,(H,27,31,32)/t26-/m1/s1
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n/an/an/an/a 29n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of PGC1 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50293847
PNG
((2R)-2-{3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES CC(C)[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C29H25ClF3NO5/c1-16(2)27(28(36)37)38-21-6-4-5-18(13-21)15-34-17(3)25(26(35)19-7-9-20(30)10-8-19)23-12-11-22(14-24(23)34)39-29(31,32)33/h4-14,16,27H,15H2,1-3H3,(H,36,37)/t27-/m1/s1
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n/an/an/an/a 9n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of Src-1 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362948
PNG
(CHEMBL1947146)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cc(O[C@H](C)C(O)=O)ccc2Cl)c1=O
Show InChI InChI=1S/C25H20ClN3O6/c1-14(24(30)31)34-17-8-10-19(26)15(11-17)13-28-20-5-3-4-6-21(20)29(25(28)32)23-18-9-7-16(33-2)12-22(18)35-27-23/h3-12,14H,13H2,1-2H3,(H,30,31)/t14-/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of Src-1 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362952
PNG
(CHEMBL1946570)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3noc4cc(Cl)ccc34)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C25H16Cl2F3N3O5/c1-12(23(34)35)37-21-8-13(2-6-17(21)27)11-32-19-9-14(25(28,29)30)3-7-18(19)33(24(32)36)22-16-5-4-15(26)10-20(16)38-31-22/h2-10,12H,11H2,1H3,(H,34,35)/t12-/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of PBP by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362953
PNG
(CHEMBL1947143)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2ccc(Cl)c(O[C@H](C)C(O)=O)c2)c1=O
Show InChI InChI=1S/C25H20ClN3O6/c1-14(24(30)31)34-22-11-15(7-10-18(22)26)13-28-19-5-3-4-6-20(19)29(25(28)32)23-17-9-8-16(33-2)12-21(17)35-27-23/h3-12,14H,13H2,1-2H3,(H,30,31)/t14-/m1/s1
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n/an/an/an/a 3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of PBP by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50244809
PNG
((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1
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n/an/an/an/a 6n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of CBP1-453 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362973
PNG
(CHEMBL1946572)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3noc4ccc(C)cc34)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C26H19ClF3N3O5/c1-13-3-8-21-17(9-13)23(31-38-21)33-19-7-5-16(26(28,29)30)11-20(19)32(25(33)36)12-15-4-6-18(27)22(10-15)37-14(2)24(34)35/h3-11,14H,12H2,1-2H3,(H,34,35)/t14-/m1/s1
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n/an/an/an/a 3.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in COS-1 cells co-expressing with Gal4 by transactivation assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
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 30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of PBP by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362951
PNG
(CHEMBL1946568)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3ccc(cc3)C(C)(C)C)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C28H26ClF3N2O4/c1-16(25(35)36)38-24-13-17(5-11-21(24)29)15-33-23-14-19(28(30,31)32)8-12-22(23)34(26(33)37)20-9-6-18(7-10-20)27(2,3)4/h5-14,16H,15H2,1-4H3,(H,35,36)/t16-/m1/s1
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n/an/an/an/a 440n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of PBP by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
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 46n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of CBP1-453 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362970
PNG
(CHEMBL1946567)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(C(=O)c3ccc(Cl)cc3)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C25H17Cl2F3N2O5/c1-13(23(34)35)37-21-10-14(2-8-18(21)27)12-31-20-11-16(25(28,29)30)5-9-19(20)32(24(31)36)22(33)15-3-6-17(26)7-4-15/h2-11,13H,12H2,1H3,(H,34,35)/t13-/m1/s1
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n/an/an/an/a 489n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in COS-1 cells co-expressing with Gal4 by transactivation assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362952
PNG
(CHEMBL1946570)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3noc4cc(Cl)ccc34)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C25H16Cl2F3N3O5/c1-12(23(34)35)37-21-8-13(2-6-17(21)27)11-32-19-9-14(25(28,29)30)3-7-18(19)33(24(32)36)22-16-5-4-15(26)10-20(16)38-31-22/h2-10,12H,11H2,1H3,(H,34,35)/t12-/m1/s1
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n/an/an/an/a 200n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in COS-1 cells co-expressing with Gal4 by transactivation assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362972
PNG
(CHEMBL1946571)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3noc4c(C)cccc34)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C26H19ClF3N3O5/c1-13-4-3-5-17-22(13)38-31-23(17)33-19-9-7-16(26(28,29)30)11-20(19)32(25(33)36)12-15-6-8-18(27)21(10-15)37-14(2)24(34)35/h3-11,14H,12H2,1-2H3,(H,34,35)/t14-/m1/s1
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n/an/an/an/a 4.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in COS-1 cells co-expressing with Gal4 by transactivation assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362957
PNG
(CHEMBL1946757)
Show SMILES COc1ccc2c(noc2c1)-n1c2cc(ccc2n(Cc2ccc(Cl)c(O[C@H](C)C(O)=O)c2)c1=O)C(F)(F)F
Show InChI InChI=1S/C26H19ClF3N3O6/c1-13(24(34)35)38-22-9-14(3-7-18(22)27)12-32-19-8-4-15(26(28,29)30)10-20(19)33(25(32)36)23-17-6-5-16(37-2)11-21(17)39-31-23/h3-11,13H,12H2,1-2H3,(H,34,35)/t13-/m1/s1
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n/an/an/an/a 83n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in COS-1 cells co-expressing with Gal4 by transactivation assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362953
PNG
(CHEMBL1947143)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2ccc(Cl)c(O[C@H](C)C(O)=O)c2)c1=O
Show InChI InChI=1S/C25H20ClN3O6/c1-14(24(30)31)34-22-11-15(7-10-18(22)26)13-28-19-5-3-4-6-20(19)29(25(28)32)23-17-9-8-16(33-2)12-21(17)35-27-23/h3-12,14H,13H2,1-2H3,(H,30,31)/t14-/m1/s1
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n/an/an/an/a 2n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of PGC1 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362954
PNG
(CHEMBL1947144)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cccc(c2)[C@@]2(C)OC(O)=NC2=O)c1=O
Show InChI InChI=1S/C26H20N4O6/c1-26(23(31)27-24(32)35-26)16-7-5-6-15(12-16)14-29-19-8-3-4-9-20(19)30(25(29)33)22-18-11-10-17(34-2)13-21(18)36-28-22/h3-13H,14H2,1-2H3,(H,27,31,32)/t26-/m1/s1
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n/an/an/an/a 130n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of Src-1 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50293847
PNG
((2R)-2-{3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES CC(C)[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C29H25ClF3NO5/c1-16(2)27(28(36)37)38-21-6-4-5-18(13-21)15-34-17(3)25(26(35)19-7-9-20(30)10-8-19)23-12-11-22(14-24(23)34)39-29(31,32)33/h4-14,16,27H,15H2,1-3H3,(H,36,37)/t27-/m1/s1
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n/an/an/an/a 6n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of PBP by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362951
PNG
(CHEMBL1946568)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3ccc(cc3)C(C)(C)C)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C28H26ClF3N2O4/c1-16(25(35)36)38-24-13-17(5-11-21(24)29)15-33-23-14-19(28(30,31)32)8-12-22(23)34(26(33)37)20-9-6-18(7-10-20)27(2,3)4/h5-14,16H,15H2,1-4H3,(H,35,36)/t16-/m1/s1
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n/an/an/an/a 480n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of CBP1-453 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362948
PNG
(CHEMBL1947146)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cc(O[C@H](C)C(O)=O)ccc2Cl)c1=O
Show InChI InChI=1S/C25H20ClN3O6/c1-14(24(30)31)34-17-8-10-19(26)15(11-17)13-28-20-5-3-4-6-21(20)29(25(28)32)23-18-9-7-16(33-2)12-22(18)35-27-23/h3-12,14H,13H2,1-2H3,(H,30,31)/t14-/m1/s1
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n/an/an/an/a 11n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of CBP1-453 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362969
PNG
(CHEMBL1946566)
Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(Cc3ccc(Cl)cc3)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
Show InChI InChI=1S/C25H19Cl2F3N2O4/c1-14(23(33)34)36-22-10-16(4-8-19(22)27)13-32-21-11-17(25(28,29)30)5-9-20(21)31(24(32)35)12-15-2-6-18(26)7-3-15/h2-11,14H,12-13H2,1H3,(H,33,34)/t14-/m1/s1
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n/an/an/an/a 3.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in COS-1 cells co-expressing with Gal4 by transactivation assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362956
PNG
(CHEMBL1946756)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccc(OC(F)(F)F)cc2n(Cc2ccc(Cl)c(O[C@H](C)C(O)=O)c2)c1=O
Show InChI InChI=1S/C26H19ClF3N3O7/c1-13(24(34)35)38-22-9-14(3-7-18(22)27)12-32-20-10-16(39-26(28,29)30)5-8-19(20)33(25(32)36)23-17-6-4-15(37-2)11-21(17)40-31-23/h3-11,13H,12H2,1-2H3,(H,34,35)/t13-/m1/s1
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n/an/an/an/a 11.4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in COS-1 cells co-expressing with Gal4 by transactivation assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50362948
PNG
(CHEMBL1947146)
Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cc(O[C@H](C)C(O)=O)ccc2Cl)c1=O
Show InChI InChI=1S/C25H20ClN3O6/c1-14(24(30)31)34-17-8-10-19(26)15(11-17)13-28-20-5-3-4-6-21(20)29(25(28)32)23-18-9-7-16(33-2)12-22(18)35-27-23/h3-12,14H,13H2,1-2H3,(H,30,31)/t14-/m1/s1
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n/an/an/an/a 51.1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in COS-1 cells co-expressing with Gal4 by transactivation assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%