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Compile Data Set for Download or QSAR

Found 191 hits from Bristol-Myers Squibb Research and Development (R&D)   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50377302
PNG
(CHEMBL255930)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2nccc(n2)C(F)(F)F)cc1)-c1ccccc1
Show InChI InChI=1S/C29H27F3N4O4/c1-18-24(34-26(40-18)20-5-3-2-4-6-20)12-14-39-22-9-7-19(8-10-22)15-21-16-36(17-23(21)27(37)38)28-33-13-11-25(35-28)29(30,31)32/h2-11,13,21,23H,12,14-17H2,1H3,(H,37,38)/t21-,23+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50063315
PNG
(CHEMBL3398446)
Show SMILES Cc1oc(nc1CCOc1cccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2nccc(n2)C(F)(F)F)c1)-c1ccccc1
Show InChI InChI=1S/C29H27F3N4O4/c1-18-24(34-26(40-18)20-7-3-2-4-8-20)11-13-39-22-9-5-6-19(15-22)14-21-16-36(17-23(21)27(37)38)28-33-12-10-25(35-28)29(30,31)32/h2-10,12,15,21,23H,11,13-14,16-17H2,1H3,(H,37,38)/t21-,23+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50377302
PNG
(CHEMBL255930)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2nccc(n2)C(F)(F)F)cc1)-c1ccccc1
Show InChI InChI=1S/C29H27F3N4O4/c1-18-24(34-26(40-18)20-5-3-2-4-6-20)12-14-39-22-9-7-19(8-10-22)15-21-16-36(17-23(21)27(37)38)28-33-13-11-25(35-28)29(30,31)32/h2-11,13,21,23H,12,14-17H2,1H3,(H,37,38)/t21-,23+/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50063311
PNG
(CHEMBL3398444)
Show SMILES Cc1oc(nc1CCOc1cccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C30H30N2O4/c1-21-28(31-29(36-21)23-10-4-2-5-11-23)15-16-35-26-14-8-9-22(18-26)17-24-19-32(20-27(24)30(33)34)25-12-6-3-7-13-25/h2-14,18,24,27H,15-17,19-20H2,1H3,(H,33,34)/t24-,27+/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50063315
PNG
(CHEMBL3398446)
Show SMILES Cc1oc(nc1CCOc1cccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2nccc(n2)C(F)(F)F)c1)-c1ccccc1
Show InChI InChI=1S/C29H27F3N4O4/c1-18-24(34-26(40-18)20-7-3-2-4-8-20)11-13-39-22-9-5-6-19(15-22)14-21-16-36(17-23(21)27(37)38)28-33-12-10-25(35-28)29(30,31)32/h2-10,12,15,21,23H,11,13-14,16-17H2,1H3,(H,37,38)/t21-,23+/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50063313
PNG
(CHEMBL3398454)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2nc(co2)C(F)(F)F)cc1)-c1ccccc1
Show InChI InChI=1S/C28H26F3N3O5/c1-17-23(32-25(39-17)19-5-3-2-4-6-19)11-12-37-21-9-7-18(8-10-21)13-20-14-34(15-22(20)26(35)36)27-33-24(16-38-27)28(29,30)31/h2-10,16,20,22H,11-15H2,1H3,(H,35,36)/t20-,22+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50063311
PNG
(CHEMBL3398444)
Show SMILES Cc1oc(nc1CCOc1cccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C30H30N2O4/c1-21-28(31-29(36-21)23-10-4-2-5-11-23)15-16-35-26-14-8-9-22(18-26)17-24-19-32(20-27(24)30(33)34)25-12-6-3-7-13-25/h2-14,18,24,27H,15-17,19-20H2,1H3,(H,33,34)/t24-,27+/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50063314
PNG
(CHEMBL3398438)
Show SMILES Cc1oc(nc1CCOc1cccc(C[C@@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C31H30N2O6/c1-21-28(32-29(38-21)23-10-4-2-5-11-23)15-16-37-26-14-8-9-22(18-26)17-24-19-33(20-27(24)30(34)35)31(36)39-25-12-6-3-7-13-25/h2-14,18,24,27H,15-17,19-20H2,1H3,(H,34,35)/t24-,27+/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50063089
PNG
(CHEMBL3398443)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C31H30N2O6/c1-21-28(32-29(38-21)23-8-4-2-5-9-23)16-17-37-25-14-12-22(13-15-25)18-24-19-33(20-27(24)30(34)35)31(36)39-26-10-6-3-7-11-26/h2-15,24,27H,16-20H2,1H3,(H,34,35)/t24-,27+/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50063089
PNG
(CHEMBL3398443)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C31H30N2O6/c1-21-28(32-29(38-21)23-8-4-2-5-9-23)16-17-37-25-14-12-22(13-15-25)18-24-19-33(20-27(24)30(34)35)31(36)39-26-10-6-3-7-11-26/h2-15,24,27H,16-20H2,1H3,(H,34,35)/t24-,27+/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50063311
PNG
(CHEMBL3398444)
Show SMILES Cc1oc(nc1CCOc1cccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C30H30N2O4/c1-21-28(31-29(36-21)23-10-4-2-5-11-23)15-16-35-26-14-8-9-22(18-26)17-24-19-32(20-27(24)30(33)34)25-12-6-3-7-13-25/h2-14,18,24,27H,15-17,19-20H2,1H3,(H,33,34)/t24-,27+/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50063099
PNG
(CHEMBL3398459)
Show SMILES Cc1oc(nc1CCOc1ccc(CC[C@@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C32H32N2O6/c1-22-29(33-30(39-22)24-8-4-2-5-9-24)18-19-38-26-16-13-23(14-17-26)12-15-25-20-34(21-28(25)31(35)36)32(37)40-27-10-6-3-7-11-27/h2-11,13-14,16-17,25,28H,12,15,18-21H2,1H3,(H,35,36)/t25-,28+/m1/s1
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n/an/a 90n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50063316
PNG
(CHEMBL3398447)
Show SMILES Cc1oc(nc1CCOc1cccc(C[C@H]2CN(C[C@H]2C(O)=O)c2nccc(n2)C(F)(F)F)c1)-c1ccccc1
Show InChI InChI=1S/C29H27F3N4O4/c1-18-24(34-26(40-18)20-7-3-2-4-8-20)11-13-39-22-9-5-6-19(15-22)14-21-16-36(17-23(21)27(37)38)28-33-12-10-25(35-28)29(30,31)32/h2-10,12,15,21,23H,11,13-14,16-17H2,1H3,(H,37,38)/t21-,23+/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50063090
PNG
(CHEMBL3398445)
Show SMILES Cc1oc(nc1CCOc1cccc(C[C@H]2CN(C[C@H]2C(O)=O)c2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C30H30N2O4/c1-21-28(31-29(36-21)23-10-4-2-5-11-23)15-16-35-26-14-8-9-22(18-26)17-24-19-32(20-27(24)30(33)34)25-12-6-3-7-13-25/h2-14,18,24,27H,15-17,19-20H2,1H3,(H,33,34)/t24-,27+/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50063309
PNG
(CHEMBL3398436)
Show SMILES CCOC(=O)N1C[C@@H](Cc2cccc(OCCc3nc(oc3C)-c3ccccc3)c2)[C@H](C1)C(O)=O
Show InChI InChI=1S/C27H30N2O6/c1-3-33-27(32)29-16-21(23(17-29)26(30)31)14-19-8-7-11-22(15-19)34-13-12-24-18(2)35-25(28-24)20-9-5-4-6-10-20/h4-11,15,21,23H,3,12-14,16-17H2,1-2H3,(H,30,31)/t21-,23+/m1/s1
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n/an/a 170n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50063089
PNG
(CHEMBL3398443)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C31H30N2O6/c1-21-28(32-29(38-21)23-8-4-2-5-9-23)16-17-37-25-14-12-22(13-15-25)18-24-19-33(20-27(24)30(34)35)31(36)39-26-10-6-3-7-11-26/h2-15,24,27H,16-20H2,1H3,(H,34,35)/t24-,27+/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50063317
PNG
(CHEMBL3398463)
Show SMILES Cc1oc(nc1CCOc1cccc(C[C@H]2CN(C[C@@H]2CC(O)=O)C(=O)Oc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C32H32N2O6/c1-22-29(33-31(39-22)24-10-4-2-5-11-24)15-16-38-28-14-8-9-23(18-28)17-25-20-34(21-26(25)19-30(35)36)32(37)40-27-12-6-3-7-13-27/h2-14,18,25-26H,15-17,19-21H2,1H3,(H,35,36)/t25-,26-/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50063093
PNG
(CHEMBL3398456)
Show SMILES Cc1oc(nc1CCOc1cccc(CC[C@@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C32H32N2O6/c1-22-29(33-30(39-22)24-10-4-2-5-11-24)17-18-38-27-14-8-9-23(19-27)15-16-25-20-34(21-28(25)31(35)36)32(37)40-26-12-6-3-7-13-26/h2-14,19,25,28H,15-18,20-21H2,1H3,(H,35,36)/t25-,28+/m1/s1
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n/an/a 210n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50063311
PNG
(CHEMBL3398444)
Show SMILES Cc1oc(nc1CCOc1cccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C30H30N2O4/c1-21-28(31-29(36-21)23-10-4-2-5-11-23)15-16-35-26-14-8-9-22(18-26)17-24-19-32(20-27(24)30(33)34)25-12-6-3-7-13-25/h2-14,18,24,27H,15-17,19-20H2,1H3,(H,33,34)/t24-,27+/m1/s1
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n/an/a 220n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50063314
PNG
(CHEMBL3398438)
Show SMILES Cc1oc(nc1CCOc1cccc(C[C@@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C31H30N2O6/c1-21-28(32-29(38-21)23-10-4-2-5-11-23)15-16-37-26-14-8-9-22(18-26)17-24-19-33(20-27(24)30(34)35)31(36)39-25-12-6-3-7-13-25/h2-14,18,24,27H,15-17,19-20H2,1H3,(H,34,35)/t24-,27+/m1/s1
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n/an/a 220n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50063323
PNG
(CHEMBL3398431)
Show SMILES Cc1oc(nc1CCOc1cccc(c1)[C@@H]1CN(C[C@@H]1CC(O)=O)C(=O)Oc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H30N2O6/c1-21-28(32-30(38-21)22-9-4-2-5-10-22)15-16-37-26-14-8-11-23(17-26)27-20-33(19-24(27)18-29(34)35)31(36)39-25-12-6-3-7-13-25/h2-14,17,24,27H,15-16,18-20H2,1H3,(H,34,35)/t24-,27-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50063309
PNG
(CHEMBL3398436)
Show SMILES CCOC(=O)N1C[C@@H](Cc2cccc(OCCc3nc(oc3C)-c3ccccc3)c2)[C@H](C1)C(O)=O
Show InChI InChI=1S/C27H30N2O6/c1-3-33-27(32)29-16-21(23(17-29)26(30)31)14-19-8-7-11-22(15-19)34-13-12-24-18(2)35-25(28-24)20-9-5-4-6-10-20/h4-11,15,21,23H,3,12-14,16-17H2,1-2H3,(H,30,31)/t21-,23+/m1/s1
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n/an/a 260n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50063090
PNG
(CHEMBL3398445)
Show SMILES Cc1oc(nc1CCOc1cccc(C[C@H]2CN(C[C@H]2C(O)=O)c2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C30H30N2O4/c1-21-28(31-29(36-21)23-10-4-2-5-11-23)15-16-35-26-14-8-9-22(18-26)17-24-19-32(20-27(24)30(33)34)25-12-6-3-7-13-25/h2-14,18,24,27H,15-17,19-20H2,1H3,(H,33,34)/t24-,27+/m0/s1
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n/an/a 320n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50063219
PNG
(CHEMBL3398461)
Show SMILES Cc1oc(nc1CCOc1ccc(CC[C@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C32H32N2O6/c1-22-29(33-30(39-22)24-8-4-2-5-9-24)18-19-38-26-16-13-23(14-17-26)12-15-25-20-34(21-28(25)31(35)36)32(37)40-27-10-6-3-7-11-27/h2-11,13-14,16-17,25,28H,12,15,18-21H2,1H3,(H,35,36)/t25-,28-/m0/s1
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n/an/a 340n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50063486
PNG
(CHEMBL3398449)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2nccc(C)n2)cc1)-c1ccccc1
Show InChI InChI=1S/C29H30N4O4/c1-19-12-14-30-29(31-19)33-17-23(25(18-33)28(34)35)16-21-8-10-24(11-9-21)36-15-13-26-20(2)37-27(32-26)22-6-4-3-5-7-22/h3-12,14,23,25H,13,15-18H2,1-2H3,(H,34,35)/t23-,25+/m1/s1
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n/an/a 450n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50063099
PNG
(CHEMBL3398459)
Show SMILES Cc1oc(nc1CCOc1ccc(CC[C@@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C32H32N2O6/c1-22-29(33-30(39-22)24-8-4-2-5-9-24)18-19-38-26-16-13-23(14-17-26)12-15-25-20-34(21-28(25)31(35)36)32(37)40-27-10-6-3-7-11-27/h2-11,13-14,16-17,25,28H,12,15,18-21H2,1H3,(H,35,36)/t25-,28+/m1/s1
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n/an/a 480n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50063314
PNG
(CHEMBL3398438)
Show SMILES Cc1oc(nc1CCOc1cccc(C[C@@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C31H30N2O6/c1-21-28(32-29(38-21)23-10-4-2-5-11-23)15-16-37-26-14-8-9-22(18-26)17-24-19-33(20-27(24)30(34)35)31(36)39-25-12-6-3-7-13-25/h2-14,18,24,27H,15-17,19-20H2,1H3,(H,34,35)/t24-,27+/m1/s1
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n/an/a 490n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50063092
PNG
(CHEMBL3398455)
Show SMILES CCOC(=O)N1C[C@@H](CCc2cccc(OCCc3nc(oc3C)-c3ccccc3)c2)[C@H](C1)C(O)=O
Show InChI InChI=1S/C28H32N2O6/c1-3-34-28(33)30-17-22(24(18-30)27(31)32)13-12-20-8-7-11-23(16-20)35-15-14-25-19(2)36-26(29-25)21-9-5-4-6-10-21/h4-11,16,22,24H,3,12-15,17-18H2,1-2H3,(H,31,32)/t22-,24+/m1/s1
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n/an/a 490n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50063489
PNG
(CHEMBL3398457)
Show SMILES Cc1oc(nc1CCOc1cccc(CC[C@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C32H32N2O6/c1-22-29(33-30(39-22)24-10-4-2-5-11-24)17-18-38-27-14-8-9-23(19-27)15-16-25-20-34(21-28(25)31(35)36)32(37)40-26-12-6-3-7-13-26/h2-14,19,25,28H,15-18,20-21H2,1H3,(H,35,36)/t25-,28-/m0/s1
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n/an/a 520n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50063312
PNG
(CHEMBL3398453)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2nc3ccccc3o2)cc1)-c1ccccc1
Show InChI InChI=1S/C31H29N3O5/c1-20-26(32-29(38-20)22-7-3-2-4-8-22)15-16-37-24-13-11-21(12-14-24)17-23-18-34(19-25(23)30(35)36)31-33-27-9-5-6-10-28(27)39-31/h2-14,23,25H,15-19H2,1H3,(H,35,36)/t23-,25+/m1/s1
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n/an/a 590n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50063327
PNG
(CHEMBL3398439)
Show SMILES Cc1oc(nc1CCOc1cccc(C[C@H]2CN(C[C@H]2C(O)=O)C(=O)Oc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C31H30N2O6/c1-21-28(32-29(38-21)23-10-4-2-5-11-23)15-16-37-26-14-8-9-22(18-26)17-24-19-33(20-27(24)30(34)35)31(36)39-25-12-6-3-7-13-25/h2-14,18,24,27H,15-17,19-20H2,1H3,(H,34,35)/t24-,27+/m0/s1
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n/an/a 590n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50063089
PNG
(CHEMBL3398443)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C31H30N2O6/c1-21-28(32-29(38-21)23-8-4-2-5-9-23)16-17-37-25-14-12-22(13-15-25)18-24-19-33(20-27(24)30(34)35)31(36)39-26-10-6-3-7-11-26/h2-15,24,27H,16-20H2,1H3,(H,34,35)/t24-,27+/m1/s1
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n/an/a 610n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50063327
PNG
(CHEMBL3398439)
Show SMILES Cc1oc(nc1CCOc1cccc(C[C@H]2CN(C[C@H]2C(O)=O)C(=O)Oc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C31H30N2O6/c1-21-28(32-29(38-21)23-10-4-2-5-11-23)15-16-37-26-14-8-9-22(18-26)17-24-19-33(20-27(24)30(34)35)31(36)39-25-12-6-3-7-13-25/h2-14,18,24,27H,15-17,19-20H2,1H3,(H,34,35)/t24-,27+/m0/s1
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n/an/a 660n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50063490
PNG
(CHEMBL3398458)
Show SMILES CCOC(=O)N1C[C@@H](CCc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)[C@H](C1)C(O)=O
Show InChI InChI=1S/C28H32N2O6/c1-3-34-28(33)30-17-22(24(18-30)27(31)32)12-9-20-10-13-23(14-11-20)35-16-15-25-19(2)36-26(29-25)21-7-5-4-6-8-21/h4-8,10-11,13-14,22,24H,3,9,12,15-18H2,1-2H3,(H,31,32)/t22-,24+/m1/s1
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n/an/a 690n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50377302
PNG
(CHEMBL255930)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2nccc(n2)C(F)(F)F)cc1)-c1ccccc1
Show InChI InChI=1S/C29H27F3N4O4/c1-18-24(34-26(40-18)20-5-3-2-4-6-20)12-14-39-22-9-7-19(8-10-22)15-21-16-36(17-23(21)27(37)38)28-33-13-11-25(35-28)29(30,31)32/h2-11,13,21,23H,12,14-17H2,1H3,(H,37,38)/t21-,23+/m1/s1
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n/an/a 740n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50063319
PNG
(CHEMBL3398430)
Show SMILES CCOC(=O)N1C[C@H](CC(O)=O)[C@@H](C1)c1cccc(OCCc2nc(oc2C)-c2ccccc2)c1
Show InChI InChI=1S/C27H30N2O6/c1-3-33-27(32)29-16-21(15-25(30)31)23(17-29)20-10-7-11-22(14-20)34-13-12-24-18(2)35-26(28-24)19-8-5-4-6-9-19/h4-11,14,21,23H,3,12-13,15-17H2,1-2H3,(H,30,31)/t21-,23-/m0/s1
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n/an/a 910n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50377302
PNG
(CHEMBL255930)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2nccc(n2)C(F)(F)F)cc1)-c1ccccc1
Show InChI InChI=1S/C29H27F3N4O4/c1-18-24(34-26(40-18)20-5-3-2-4-6-20)12-14-39-22-9-7-19(8-10-22)15-21-16-36(17-23(21)27(37)38)28-33-13-11-25(35-28)29(30,31)32/h2-11,13,21,23H,12,14-17H2,1H3,(H,37,38)/t21-,23+/m1/s1
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n/an/a 960n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50063319
PNG
(CHEMBL3398430)
Show SMILES CCOC(=O)N1C[C@H](CC(O)=O)[C@@H](C1)c1cccc(OCCc2nc(oc2C)-c2ccccc2)c1
Show InChI InChI=1S/C27H30N2O6/c1-3-33-27(32)29-16-21(15-25(30)31)23(17-29)20-10-7-11-22(14-20)34-13-12-24-18(2)35-26(28-24)19-8-5-4-6-9-19/h4-11,14,21,23H,3,12-13,15-17H2,1-2H3,(H,30,31)/t21-,23-/m0/s1
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n/an/a 990n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50063093
PNG
(CHEMBL3398456)
Show SMILES Cc1oc(nc1CCOc1cccc(CC[C@@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C32H32N2O6/c1-22-29(33-30(39-22)24-10-4-2-5-11-24)17-18-38-27-14-8-9-23(19-27)15-16-25-20-34(21-28(25)31(35)36)32(37)40-26-12-6-3-7-13-26/h2-14,19,25,28H,15-18,20-21H2,1H3,(H,35,36)/t25-,28+/m1/s1
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n/an/a 1.06E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50063316
PNG
(CHEMBL3398447)
Show SMILES Cc1oc(nc1CCOc1cccc(C[C@H]2CN(C[C@H]2C(O)=O)c2nccc(n2)C(F)(F)F)c1)-c1ccccc1
Show InChI InChI=1S/C29H27F3N4O4/c1-18-24(34-26(40-18)20-7-3-2-4-8-20)11-13-39-22-9-5-6-19(15-22)14-21-16-36(17-23(21)27(37)38)28-33-12-10-25(35-28)29(30,31)32/h2-10,12,15,21,23H,11,13-14,16-17H2,1H3,(H,37,38)/t21-,23+/m0/s1
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n/an/a 1.12E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50063487
PNG
(CHEMBL3398451)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H]2CN(C[C@@H]2C(O)=O)c2nccc(n2)C(F)(F)F)cc1)-c1ccccc1
Show InChI InChI=1S/C29H27F3N4O4/c1-18-24(34-26(40-18)20-5-3-2-4-6-20)12-14-39-22-9-7-19(8-10-22)15-21-16-36(17-23(21)27(37)38)28-33-13-11-25(35-28)29(30,31)32/h2-11,13,21,23H,12,14-17H2,1H3,(H,37,38)/t21-,23-/m0/s1
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n/an/a 1.12E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50063488
PNG
(CHEMBL3398452)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@H]2C(O)=O)c2nccc(n2)C(F)(F)F)cc1)-c1ccccc1
Show InChI InChI=1S/C29H27F3N4O4/c1-18-24(34-26(40-18)20-5-3-2-4-6-20)12-14-39-22-9-7-19(8-10-22)15-21-16-36(17-23(21)27(37)38)28-33-13-11-25(35-28)29(30,31)32/h2-11,13,21,23H,12,14-17H2,1H3,(H,37,38)/t21-,23-/m1/s1
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n/an/a 1.16E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50063314
PNG
(CHEMBL3398438)
Show SMILES Cc1oc(nc1CCOc1cccc(C[C@@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C31H30N2O6/c1-21-28(32-29(38-21)23-10-4-2-5-11-23)15-16-37-26-14-8-9-22(18-26)17-24-19-33(20-27(24)30(34)35)31(36)39-25-12-6-3-7-13-25/h2-14,18,24,27H,15-17,19-20H2,1H3,(H,34,35)/t24-,27+/m1/s1
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n/an/a 1.33E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50063309
PNG
(CHEMBL3398436)
Show SMILES CCOC(=O)N1C[C@@H](Cc2cccc(OCCc3nc(oc3C)-c3ccccc3)c2)[C@H](C1)C(O)=O
Show InChI InChI=1S/C27H30N2O6/c1-3-33-27(32)29-16-21(23(17-29)26(30)31)14-19-8-7-11-22(15-19)34-13-12-24-18(2)35-25(28-24)20-9-5-4-6-10-20/h4-11,15,21,23H,3,12-14,16-17H2,1-2H3,(H,30,31)/t21-,23+/m1/s1
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n/an/a 1.51E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50063091
PNG
(CHEMBL3398450)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H]2CN(C[C@H]2C(O)=O)c2nccc(n2)C(F)(F)F)cc1)-c1ccccc1
Show InChI InChI=1S/C29H27F3N4O4/c1-18-24(34-26(40-18)20-5-3-2-4-6-20)12-14-39-22-9-7-19(8-10-22)15-21-16-36(17-23(21)27(37)38)28-33-13-11-25(35-28)29(30,31)32/h2-11,13,21,23H,12,14-17H2,1H3,(H,37,38)/t21-,23+/m0/s1
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n/an/a 1.53E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50063122
PNG
(CHEMBL3398460)
Show SMILES CCOC(=O)N1C[C@H](CCc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)[C@H](C1)C(O)=O
Show InChI InChI=1S/C28H32N2O6/c1-3-34-28(33)30-17-22(24(18-30)27(31)32)12-9-20-10-13-23(14-11-20)35-16-15-25-19(2)36-26(29-25)21-7-5-4-6-8-21/h4-8,10-11,13-14,22,24H,3,9,12,15-18H2,1-2H3,(H,31,32)/t22-,24-/m0/s1
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n/an/a 1.59E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50063122
PNG
(CHEMBL3398460)
Show SMILES CCOC(=O)N1C[C@H](CCc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)[C@H](C1)C(O)=O
Show InChI InChI=1S/C28H32N2O6/c1-3-34-28(33)30-17-22(24(18-30)27(31)32)12-9-20-10-13-23(14-11-20)35-16-15-25-19(2)36-26(29-25)21-7-5-4-6-8-21/h4-8,10-11,13-14,22,24H,3,9,12,15-18H2,1-2H3,(H,31,32)/t22-,24-/m0/s1
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n/an/a 1.81E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50063252
PNG
(CHEMBL3398433)
Show SMILES Cc1oc(nc1CCOc1cccc(c1)[C@H]1CN(C[C@@H]1CC(O)=O)C(=O)Oc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H30N2O6/c1-21-28(32-30(38-21)22-9-4-2-5-10-22)15-16-37-26-14-8-11-23(17-26)27-20-33(19-24(27)18-29(34)35)31(36)39-25-12-6-3-7-13-25/h2-14,17,24,27H,15-16,18-20H2,1H3,(H,34,35)/t24-,27+/m0/s1
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n/an/a 1.82E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50063309
PNG
(CHEMBL3398436)
Show SMILES CCOC(=O)N1C[C@@H](Cc2cccc(OCCc3nc(oc3C)-c3ccccc3)c2)[C@H](C1)C(O)=O
Show InChI InChI=1S/C27H30N2O6/c1-3-33-27(32)29-16-21(23(17-29)26(30)31)14-19-8-7-11-22(15-19)34-13-12-24-18(2)35-25(28-24)20-9-5-4-6-10-20/h4-11,15,21,23H,3,12-14,16-17H2,1-2H3,(H,30,31)/t21-,23+/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50063088
PNG
(CHEMBL3398442)
Show SMILES CCOC(=O)N1C[C@@H](Cc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)[C@H](C1)C(O)=O
Show InChI InChI=1S/C27H30N2O6/c1-3-33-27(32)29-16-21(23(17-29)26(30)31)15-19-9-11-22(12-10-19)34-14-13-24-18(2)35-25(28-24)20-7-5-4-6-8-20/h4-12,21,23H,3,13-17H2,1-2H3,(H,30,31)/t21-,23+/m1/s1
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n/an/a 2.02E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...


Bioorg Med Chem Lett 25: 1196-205 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP
More data for this
Ligand-Target Pair
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