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PubMed code 20356736

Compile data set for download or QSAR
Found 48 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 gamma


(Homo sapiens (Human))
BDBM50317110
PNG
(2-(methoxycarbonyl(3-((2-(4-(trifluoromethyl)pheny...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2coc(n2)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C22H19F3N2O6/c1-31-21(30)27(11-19(28)29)10-14-3-2-4-18(9-14)32-12-17-13-33-20(26-17)15-5-7-16(8-6-15)22(23,24)25/h2-9,13H,10-12H2,1H3,(H,28,29)
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n/an/an/an/a 4.82E+3n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARgamma in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50317113
PNG
(2-(methoxycarbonyl(3-((2-phenyloxazol-4-yl)methoxy...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2coc(n2)-c2ccccc2)c1
Show InChI InChI=1S/C21H20N2O6/c1-27-21(26)23(12-19(24)25)11-15-6-5-9-18(10-15)28-13-17-14-29-20(22-17)16-7-3-2-4-8-16/h2-10,14H,11-13H2,1H3,(H,24,25)
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n/an/an/an/a 1.23E+3n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARalpha in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50317119
PNG
(2-((3-((2-(4-chlorophenyl)thiazol-4-yl)methoxy)ben...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2csc(n2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C21H19ClN2O5S/c1-28-21(27)24(11-19(25)26)10-14-3-2-4-18(9-14)29-12-17-13-30-20(23-17)15-5-7-16(22)8-6-15/h2-9,13H,10-12H2,1H3,(H,25,26)
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n/an/an/an/a 90n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARalpha in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50317130
PNG
((S)-2-((1-(3-((2-(4-chlorophenyl)oxazol-4-yl)metho...)
Show SMILES COc1cc(OC(=O)N(CC(O)=O)[C@@H](C)c2cccc(OCc3coc(n3)-c3ccc(Cl)cc3)c2)ccc1F |r|
Show InChI InChI=1S/C28H24ClFN2O7/c1-17(32(14-26(33)34)28(35)39-23-10-11-24(30)25(13-23)36-2)19-4-3-5-22(12-19)37-15-21-16-38-27(31-21)18-6-8-20(29)9-7-18/h3-13,16-17H,14-15H2,1-2H3,(H,33,34)/t17-/m0/s1
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n/an/an/an/a 51n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARalpha in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50317109
PNG
(2-((3-((2-(4-chlorophenyl)oxazol-4-yl)methoxy)benz...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2coc(n2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C21H19ClN2O6/c1-28-21(27)24(11-19(25)26)10-14-3-2-4-18(9-14)29-12-17-13-30-20(23-17)15-5-7-16(22)8-6-15/h2-9,13H,10-12H2,1H3,(H,25,26)
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n/an/an/an/a 9.19E+3n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARgamma in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28800
PNG
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27)
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n/an/an/an/a 4.02E+3n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARgamma in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50317117
PNG
((S)-2-((1-(3-((2-(4-chlorophenyl)oxazol-4-yl)metho...)
Show SMILES COC(=O)N(CC(O)=O)[C@@H](C)c1cccc(OCc2coc(n2)-c2ccc(Cl)cc2)c1 |r|
Show InChI InChI=1S/C22H21ClN2O6/c1-14(25(11-20(26)27)22(28)29-2)16-4-3-5-19(10-16)30-12-18-13-31-21(24-18)15-6-8-17(23)9-7-15/h3-10,13-14H,11-12H2,1-2H3,(H,26,27)/t14-/m0/s1
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n/an/an/an/a>8.30E+3n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARgamma in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50317119
PNG
(2-((3-((2-(4-chlorophenyl)thiazol-4-yl)methoxy)ben...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2csc(n2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C21H19ClN2O5S/c1-28-21(27)24(11-19(25)26)10-14-3-2-4-18(9-14)29-12-17-13-30-20(23-17)15-5-7-16(22)8-6-15/h2-9,13H,10-12H2,1H3,(H,25,26)
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n/an/an/an/a 4.69E+3n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARgamma in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50317124
PNG
(2-((3-((2-(2-chlorophenyl)thiazol-4-yl)methoxy)ben...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2csc(n2)-c2ccccc2Cl)c1
Show InChI InChI=1S/C21H19ClN2O5S/c1-28-21(27)24(11-19(25)26)10-14-5-4-6-16(9-14)29-12-15-13-30-20(23-15)17-7-2-3-8-18(17)22/h2-9,13H,10-12H2,1H3,(H,25,26)
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n/an/an/an/a 5.04E+3n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARgamma in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50317126
PNG
((S)-2-((1-(3-((2-(4-chlorophenyl)oxazol-4-yl)metho...)
Show SMILES C[C@H](N(CC(O)=O)C(=O)Oc1cccc(C)c1)c1cccc(OCc2coc(n2)-c2ccc(Cl)cc2)c1 |r|
Show InChI InChI=1S/C28H25ClN2O6/c1-18-5-3-8-25(13-18)37-28(34)31(15-26(32)33)19(2)21-6-4-7-24(14-21)35-16-23-17-36-27(30-23)20-9-11-22(29)12-10-20/h3-14,17,19H,15-16H2,1-2H3,(H,32,33)/t19-/m0/s1
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n/an/an/an/a 571n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARgamma in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50317122
PNG
(2-(methoxycarbonyl(3-((2-phenylthiazol-4-yl)methox...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2csc(n2)-c2ccccc2)c1
Show InChI InChI=1S/C21H20N2O5S/c1-27-21(26)23(12-19(24)25)11-15-6-5-9-18(10-15)28-13-17-14-29-20(22-17)16-7-3-2-4-8-16/h2-10,14H,11-13H2,1H3,(H,24,25)
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n/an/an/an/a 304n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARalpha in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50317124
PNG
(2-((3-((2-(2-chlorophenyl)thiazol-4-yl)methoxy)ben...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2csc(n2)-c2ccccc2Cl)c1
Show InChI InChI=1S/C21H19ClN2O5S/c1-28-21(27)24(11-19(25)26)10-14-5-4-6-16(9-14)29-12-15-13-30-20(23-15)17-7-2-3-8-18(17)22/h2-9,13H,10-12H2,1H3,(H,25,26)
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n/an/an/an/a>2.50E+3n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARalpha in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50317128
PNG
((S)-2-((1-(3-((2-(4-chlorophenyl)oxazol-4-yl)metho...)
Show SMILES COc1ccc(OC(=O)N(CC(O)=O)[C@@H](C)c2cccc(OCc3coc(n3)-c3ccc(Cl)cc3)c2)cc1 |r|
Show InChI InChI=1S/C28H25ClN2O7/c1-18(31(15-26(32)33)28(34)38-24-12-10-23(35-2)11-13-24)20-4-3-5-25(14-20)36-16-22-17-37-27(30-22)19-6-8-21(29)9-7-19/h3-14,17-18H,15-16H2,1-2H3,(H,32,33)/t18-/m0/s1
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n/an/an/an/a 66n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARalpha in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50317113
PNG
(2-(methoxycarbonyl(3-((2-phenyloxazol-4-yl)methoxy...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2coc(n2)-c2ccccc2)c1
Show InChI InChI=1S/C21H20N2O6/c1-27-21(26)23(12-19(24)25)11-15-6-5-9-18(10-15)28-13-17-14-29-20(22-17)16-7-3-2-4-8-16/h2-10,14H,11-13H2,1H3,(H,24,25)
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n/an/an/an/a>2.50E+4n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARgamma in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50317114
PNG
(2-(methoxycarbonyl(3-((2-m-tolyloxazol-4-yl)methox...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2coc(n2)-c2cccc(C)c2)c1
Show InChI InChI=1S/C22H22N2O6/c1-15-5-3-7-17(9-15)21-23-18(14-30-21)13-29-19-8-4-6-16(10-19)11-24(12-20(25)26)22(27)28-2/h3-10,14H,11-13H2,1-2H3,(H,25,26)
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n/an/an/an/a>2.50E+4n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARgamma in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50317116
PNG
(2-((3-((2-(3-chloro-4-fluorophenyl)oxazol-4-yl)met...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2coc(n2)-c2ccc(F)c(Cl)c2)c1
Show InChI InChI=1S/C21H18ClFN2O6/c1-29-21(28)25(10-19(26)27)9-13-3-2-4-16(7-13)30-11-15-12-31-20(24-15)14-5-6-18(23)17(22)8-14/h2-8,12H,9-11H2,1H3,(H,26,27)
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n/an/an/an/a 6.39E+3n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARgamma in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50317118
PNG
((S)-2-(methoxycarbonyl(1-(3-((2-p-tolyloxazol-4-yl...)
Show SMILES COC(=O)N(CC(O)=O)[C@@H](C)c1cccc(OCc2coc(n2)-c2ccc(C)cc2)c1 |r|
Show InChI InChI=1S/C23H24N2O6/c1-15-7-9-17(10-8-15)22-24-19(14-31-22)13-30-20-6-4-5-18(11-20)16(2)25(12-21(26)27)23(28)29-3/h4-11,14,16H,12-13H2,1-3H3,(H,26,27)/t16-/m0/s1
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n/an/an/an/a 2.07E+4n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARgamma in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50317127
PNG
((S)-2-((1-(3-((2-(4-chlorophenyl)oxazol-4-yl)metho...)
Show SMILES COc1cccc(OC(=O)N(CC(O)=O)[C@@H](C)c2cccc(OCc3coc(n3)-c3ccc(Cl)cc3)c2)c1 |r|
Show InChI InChI=1S/C28H25ClN2O7/c1-18(31(15-26(32)33)28(34)38-25-8-4-6-23(14-25)35-2)20-5-3-7-24(13-20)36-16-22-17-37-27(30-22)19-9-11-21(29)12-10-19/h3-14,17-18H,15-16H2,1-2H3,(H,32,33)/t18-/m0/s1
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n/an/an/an/a 772n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARgamma in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50317109
PNG
(2-((3-((2-(4-chlorophenyl)oxazol-4-yl)methoxy)benz...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2coc(n2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C21H19ClN2O6/c1-28-21(27)24(11-19(25)26)10-14-3-2-4-18(9-14)29-12-17-13-30-20(23-17)15-5-7-16(22)8-6-15/h2-9,13H,10-12H2,1H3,(H,25,26)
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n/an/an/an/a 64n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARalpha in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50317112
PNG
(2-((3-((2-(4-fluorophenyl)oxazol-4-yl)methoxy)benz...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2coc(n2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C21H19FN2O6/c1-28-21(27)24(11-19(25)26)10-14-3-2-4-18(9-14)29-12-17-13-30-20(23-17)15-5-7-16(22)8-6-15/h2-9,13H,10-12H2,1H3,(H,25,26)
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n/an/an/an/a 235n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARalpha in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50317115
PNG
(2-((3-((2-(2,4-difluorophenyl)oxazol-4-yl)methoxy)...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2coc(n2)-c2ccc(F)cc2F)c1
Show InChI InChI=1S/C21H18F2N2O6/c1-29-21(28)25(10-19(26)27)9-13-3-2-4-16(7-13)30-11-15-12-31-20(24-15)17-6-5-14(22)8-18(17)23/h2-8,12H,9-11H2,1H3,(H,26,27)
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n/an/an/an/a 1.09E+3n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARalpha in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50317116
PNG
(2-((3-((2-(3-chloro-4-fluorophenyl)oxazol-4-yl)met...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2coc(n2)-c2ccc(F)c(Cl)c2)c1
Show InChI InChI=1S/C21H18ClFN2O6/c1-29-21(28)25(10-19(26)27)9-13-3-2-4-16(7-13)30-11-15-12-31-20(24-15)14-5-6-18(23)17(22)8-14/h2-8,12H,9-11H2,1H3,(H,26,27)
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n/an/an/an/a 395n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARalpha in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50314814
PNG
(2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)met...)
Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H25ClN2O6/c1-18-6-12-23(13-7-18)37-28(34)31(16-26(32)33)15-20-4-3-5-24(14-20)35-17-25-19(2)36-27(30-25)21-8-10-22(29)11-9-21/h3-14H,15-17H2,1-2H3,(H,32,33)
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n/an/an/an/a 8n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARalpha in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50317129
PNG
((S)-2-((1-(3-((2-(4-chlorophenyl)oxazol-4-yl)metho...)
Show SMILES C[C@H](N(CC(O)=O)C(=O)Oc1cc(C)ccc1F)c1cccc(OCc2coc(n2)-c2ccc(Cl)cc2)c1 |r|
Show InChI InChI=1S/C28H24ClFN2O6/c1-17-6-11-24(30)25(12-17)38-28(35)32(14-26(33)34)18(2)20-4-3-5-23(13-20)36-15-22-16-37-27(31-22)19-7-9-21(29)10-8-19/h3-13,16,18H,14-15H2,1-2H3,(H,33,34)/t18-/m0/s1
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n/an/an/an/a 471n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARalpha in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50317129
PNG
((S)-2-((1-(3-((2-(4-chlorophenyl)oxazol-4-yl)metho...)
Show SMILES C[C@H](N(CC(O)=O)C(=O)Oc1cc(C)ccc1F)c1cccc(OCc2coc(n2)-c2ccc(Cl)cc2)c1 |r|
Show InChI InChI=1S/C28H24ClFN2O6/c1-17-6-11-24(30)25(12-17)38-28(35)32(14-26(33)34)18(2)20-4-3-5-23(13-20)36-15-22-16-37-27(31-22)19-7-9-21(29)10-8-19/h3-13,16,18H,14-15H2,1-2H3,(H,33,34)/t18-/m0/s1
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n/an/an/an/a 710n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARgamma in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50317111
PNG
(2-(methoxycarbonyl(3-((2-p-tolyloxazol-4-yl)methox...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2coc(n2)-c2ccc(C)cc2)c1
Show InChI InChI=1S/C22H22N2O6/c1-15-6-8-17(9-7-15)21-23-18(14-30-21)13-29-19-5-3-4-16(10-19)11-24(12-20(25)26)22(27)28-2/h3-10,14H,11-13H2,1-2H3,(H,25,26)
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n/an/an/an/a 29.9n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARalpha in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50317114
PNG
(2-(methoxycarbonyl(3-((2-m-tolyloxazol-4-yl)methox...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2coc(n2)-c2cccc(C)c2)c1
Show InChI InChI=1S/C22H22N2O6/c1-15-5-3-7-17(9-15)21-23-18(14-30-21)13-29-19-8-4-6-16(10-19)11-24(12-20(25)26)22(27)28-2/h3-10,14H,11-13H2,1-2H3,(H,25,26)
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n/an/an/an/a 451n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARalpha in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50317117
PNG
((S)-2-((1-(3-((2-(4-chlorophenyl)oxazol-4-yl)metho...)
Show SMILES COC(=O)N(CC(O)=O)[C@@H](C)c1cccc(OCc2coc(n2)-c2ccc(Cl)cc2)c1 |r|
Show InChI InChI=1S/C22H21ClN2O6/c1-14(25(11-20(26)27)22(28)29-2)16-4-3-5-19(10-16)30-12-18-13-31-21(24-18)15-6-8-17(23)9-7-15/h3-10,13-14H,11-12H2,1-2H3,(H,26,27)/t14-/m0/s1
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n/an/an/an/a 73n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARalpha in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50317121
PNG
(2-(methoxycarbonyl(3-((2-p-tolylthiazol-4-yl)metho...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2csc(n2)-c2ccc(C)cc2)c1
Show InChI InChI=1S/C22H22N2O5S/c1-15-6-8-17(9-7-15)21-23-18(14-30-21)13-29-19-5-3-4-16(10-19)11-24(12-20(25)26)22(27)28-2/h3-10,14H,11-13H2,1-2H3,(H,25,26)
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n/an/an/an/a 41.8n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARalpha in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50317123
PNG
(2-((3-((2-(3-chlorophenyl)thiazol-4-yl)methoxy)ben...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2csc(n2)-c2cccc(Cl)c2)c1
Show InChI InChI=1S/C21H19ClN2O5S/c1-28-21(27)24(11-19(25)26)10-14-4-2-7-18(8-14)29-12-17-13-30-20(23-17)15-5-3-6-16(22)9-15/h2-9,13H,10-12H2,1H3,(H,25,26)
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n/an/an/an/a 1.45E+3n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARalpha in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50317111
PNG
(2-(methoxycarbonyl(3-((2-p-tolyloxazol-4-yl)methox...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2coc(n2)-c2ccc(C)cc2)c1
Show InChI InChI=1S/C22H22N2O6/c1-15-6-8-17(9-7-15)21-23-18(14-30-21)13-29-19-5-3-4-16(10-19)11-24(12-20(25)26)22(27)28-2/h3-10,14H,11-13H2,1-2H3,(H,25,26)
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n/an/an/an/a 1.56E+4n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARgamma in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50317122
PNG
(2-(methoxycarbonyl(3-((2-phenylthiazol-4-yl)methox...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2csc(n2)-c2ccccc2)c1
Show InChI InChI=1S/C21H20N2O5S/c1-27-21(26)23(12-19(24)25)11-15-6-5-9-18(10-15)28-13-17-14-29-20(22-17)16-7-3-2-4-8-16/h2-10,14H,11-13H2,1H3,(H,24,25)
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n/an/an/an/a>2.50E+4n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARgamma in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50317123
PNG
(2-((3-((2-(3-chlorophenyl)thiazol-4-yl)methoxy)ben...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2csc(n2)-c2cccc(Cl)c2)c1
Show InChI InChI=1S/C21H19ClN2O5S/c1-28-21(27)24(11-19(25)26)10-14-4-2-7-18(8-14)29-12-17-13-30-20(23-17)15-5-3-6-16(22)9-15/h2-9,13H,10-12H2,1H3,(H,25,26)
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n/an/an/an/a 4.02E+3n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARgamma in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM28800
PNG
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27)
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n/an/an/an/a 9.60n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARalpha in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50317110
PNG
(2-(methoxycarbonyl(3-((2-(4-(trifluoromethyl)pheny...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2coc(n2)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C22H19F3N2O6/c1-31-21(30)27(11-19(28)29)10-14-3-2-4-18(9-14)32-12-17-13-33-20(26-17)15-5-7-16(8-6-15)22(23,24)25/h2-9,13H,10-12H2,1H3,(H,28,29)
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n/an/an/an/a 68n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARalpha in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50317118
PNG
((S)-2-(methoxycarbonyl(1-(3-((2-p-tolyloxazol-4-yl...)
Show SMILES COC(=O)N(CC(O)=O)[C@@H](C)c1cccc(OCc2coc(n2)-c2ccc(C)cc2)c1 |r|
Show InChI InChI=1S/C23H24N2O6/c1-15-7-9-17(10-8-15)22-24-19(14-31-22)13-30-20-6-4-5-18(11-20)16(2)25(12-21(26)27)23(28)29-3/h4-11,14,16H,12-13H2,1-3H3,(H,26,27)/t16-/m0/s1
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n/an/an/an/a 87n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARalpha in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50317127
PNG
((S)-2-((1-(3-((2-(4-chlorophenyl)oxazol-4-yl)metho...)
Show SMILES COc1cccc(OC(=O)N(CC(O)=O)[C@@H](C)c2cccc(OCc3coc(n3)-c3ccc(Cl)cc3)c2)c1 |r|
Show InChI InChI=1S/C28H25ClN2O7/c1-18(31(15-26(32)33)28(34)38-25-8-4-6-23(14-25)35-2)20-5-3-7-24(13-20)36-16-22-17-37-27(30-22)19-9-11-21(29)12-10-19/h3-14,17-18H,15-16H2,1-2H3,(H,32,33)/t18-/m0/s1
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n/an/an/an/a 13n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARalpha in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50314814
PNG
(2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)met...)
Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H25ClN2O6/c1-18-6-12-23(13-7-18)37-28(34)31(16-26(32)33)15-20-4-3-5-24(14-20)35-17-25-19(2)36-27(30-25)21-8-10-22(29)11-9-21/h3-14H,15-17H2,1-2H3,(H,32,33)
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n/an/an/an/a 963n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARgamma in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50317112
PNG
(2-((3-((2-(4-fluorophenyl)oxazol-4-yl)methoxy)benz...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2coc(n2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C21H19FN2O6/c1-28-21(27)24(11-19(25)26)10-14-3-2-4-18(9-14)29-12-17-13-30-20(23-17)15-5-7-16(22)8-6-15/h2-9,13H,10-12H2,1H3,(H,25,26)
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n/an/an/an/a>2.50E+4n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARgamma in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50317115
PNG
(2-((3-((2-(2,4-difluorophenyl)oxazol-4-yl)methoxy)...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2coc(n2)-c2ccc(F)cc2F)c1
Show InChI InChI=1S/C21H18F2N2O6/c1-29-21(28)25(10-19(26)27)9-13-3-2-4-16(7-13)30-11-15-12-31-20(24-15)17-6-5-14(22)8-18(17)23/h2-8,12H,9-11H2,1H3,(H,26,27)
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n/an/an/an/a>2.50E+4n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARgamma in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50317125
PNG
((S)-2-((1-(3-((2-(4-chlorophenyl)oxazol-4-yl)metho...)
Show SMILES C[C@H](N(CC(O)=O)C(=O)Oc1ccccc1)c1cccc(OCc2coc(n2)-c2ccc(Cl)cc2)c1 |r|
Show InChI InChI=1S/C27H23ClN2O6/c1-18(30(15-25(31)32)27(33)36-23-7-3-2-4-8-23)20-6-5-9-24(14-20)34-16-22-17-35-26(29-22)19-10-12-21(28)13-11-19/h2-14,17-18H,15-16H2,1H3,(H,31,32)/t18-/m0/s1
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n/an/an/an/a 1.69E+3n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARgamma in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50317120
PNG
(2-(methoxycarbonyl(3-((2-(4-(trifluoromethyl)pheny...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2csc(n2)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C22H19F3N2O5S/c1-31-21(30)27(11-19(28)29)10-14-3-2-4-18(9-14)32-12-17-13-33-20(26-17)15-5-7-16(8-6-15)22(23,24)25/h2-9,13H,10-12H2,1H3,(H,28,29)
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n/an/an/an/a 46.6n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARalpha in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50317125
PNG
((S)-2-((1-(3-((2-(4-chlorophenyl)oxazol-4-yl)metho...)
Show SMILES C[C@H](N(CC(O)=O)C(=O)Oc1ccccc1)c1cccc(OCc2coc(n2)-c2ccc(Cl)cc2)c1 |r|
Show InChI InChI=1S/C27H23ClN2O6/c1-18(30(15-25(31)32)27(33)36-23-7-3-2-4-8-23)20-6-5-9-24(14-20)34-16-22-17-35-26(29-22)19-10-12-21(28)13-11-19/h2-14,17-18H,15-16H2,1H3,(H,31,32)/t18-/m0/s1
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n/an/an/an/a 145n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARalpha in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50317126
PNG
((S)-2-((1-(3-((2-(4-chlorophenyl)oxazol-4-yl)metho...)
Show SMILES C[C@H](N(CC(O)=O)C(=O)Oc1cccc(C)c1)c1cccc(OCc2coc(n2)-c2ccc(Cl)cc2)c1 |r|
Show InChI InChI=1S/C28H25ClN2O6/c1-18-5-3-8-25(13-18)37-28(34)31(15-26(32)33)19(2)21-6-4-7-24(14-21)35-16-23-17-36-27(30-23)20-9-11-22(29)12-10-20/h3-14,17,19H,15-16H2,1-2H3,(H,32,33)/t19-/m0/s1
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n/an/an/an/a 22n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARalpha in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50317121
PNG
(2-(methoxycarbonyl(3-((2-p-tolylthiazol-4-yl)metho...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2csc(n2)-c2ccc(C)cc2)c1
Show InChI InChI=1S/C22H22N2O5S/c1-15-6-8-17(9-7-15)21-23-18(14-30-21)13-29-19-5-3-4-16(10-19)11-24(12-20(25)26)22(27)28-2/h3-10,14H,11-13H2,1-2H3,(H,25,26)
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n/an/an/an/a 9.29E+3n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARgamma in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50317128
PNG
((S)-2-((1-(3-((2-(4-chlorophenyl)oxazol-4-yl)metho...)
Show SMILES COc1ccc(OC(=O)N(CC(O)=O)[C@@H](C)c2cccc(OCc3coc(n3)-c3ccc(Cl)cc3)c2)cc1 |r|
Show InChI InChI=1S/C28H25ClN2O7/c1-18(31(15-26(32)33)28(34)38-24-12-10-23(35-2)11-13-24)20-4-3-5-25(14-20)36-16-22-17-37-27(30-22)19-6-8-21(29)9-7-19/h3-14,17-18H,15-16H2,1-2H3,(H,32,33)/t18-/m0/s1
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n/an/an/an/a 970n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARgamma in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50317130
PNG
((S)-2-((1-(3-((2-(4-chlorophenyl)oxazol-4-yl)metho...)
Show SMILES COc1cc(OC(=O)N(CC(O)=O)[C@@H](C)c2cccc(OCc3coc(n3)-c3ccc(Cl)cc3)c2)ccc1F |r|
Show InChI InChI=1S/C28H24ClFN2O7/c1-17(32(14-26(33)34)28(35)39-23-10-11-24(30)25(13-23)36-2)19-4-3-5-22(12-19)37-15-21-16-38-27(31-21)18-6-8-20(29)9-7-18/h3-13,16-17H,14-15H2,1-2H3,(H,33,34)/t17-/m0/s1
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n/an/an/an/a 1.44E+3n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARgamma in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50317120
PNG
(2-(methoxycarbonyl(3-((2-(4-(trifluoromethyl)pheny...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2csc(n2)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C22H19F3N2O5S/c1-31-21(30)27(11-19(28)29)10-14-3-2-4-18(9-14)32-12-17-13-33-20(26-17)15-5-7-16(8-6-15)22(23,24)25/h2-9,13H,10-12H2,1H3,(H,28,29)
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n/an/an/an/a 3.44E+3n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARgamma in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%