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Compile Data Set for Download or QSAR

Found 5606 hits Enz. Inhib. hit(s) with Target = 'Peroxisome Proliferator-Activated Receptor gamma'   
Target
(Institution)
LigandTarget
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))
BDBM161153
PNG
(US9051265, 61)
Show SMILES CC(C)c1cccc(c1)[C@H](C)NC(=O)c1ccc2n(Cc3cc(O[C@@H](C)C(O)=O)ccc3Cl)c(C)c(C)c2c1
Show InChI InChI=1/C32H35ClN2O4/c1-18(2)23-8-7-9-24(14-23)20(4)34-31(36)25-10-13-30-28(16-25)19(3)21(5)35(30)17-26-15-27(11-12-29(26)33)39-22(6)32(37)38/h7-16,18,20,22H,17H2,1-6H3,(H,34,36)(H,37,38)/t20-,22-/s2
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US Patent
n/an/a 0.0600n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of 5 nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan- PPAR Green, an...


US Patent US9051265 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM147275
PNG
(US8957093, 97)
Show SMILES CC[C@@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1
Show InChI InChI=1/C34H32N2O3/c1-4-31(26-10-6-5-7-11-26)35-33(37)27-18-19-32-30(20-27)22(2)23(3)36(32)21-24-14-16-25(17-15-24)28-12-8-9-13-29(28)34(38)39/h5-20,31H,4,21H2,1-3H3,(H,35,37)(H,38,39)/t31-/s2
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US Patent
n/an/a 0.100n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM161150
PNG
(US9051265, 58 | US9051265, 98)
Show SMILES C[C@H](NC(=O)c1ccc2n(Cc3ccc(Cl)c(O[C@@H](C)C(O)=O)c3)c(C)c(C)c2c1)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1/C33H37ClN2O4/c1-19-21(3)36(18-23-8-14-28(34)30(16-23)40-22(4)32(38)39)29-15-11-25(17-27(19)29)31(37)35-20(2)24-9-12-26(13-10-24)33(5,6)7/h8-17,20,22H,18H2,1-7H3,(H,35,37)(H,38,39)/t20-,22-/s2
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US Patent
n/an/a 0.200n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of 5 nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan- PPAR Green, an...


US Patent US9051265 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM161156
PNG
(US9051265, 64 | US9051265, 99)
Show SMILES C[C@H](NC(=O)c1ccc2n(Cc3cc(O[C@@H](C)C(O)=O)ccc3Cl)c(C)c(C)c2c1)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1/C33H37ClN2O4/c1-19-21(3)36(18-25-16-27(13-14-29(25)34)40-22(4)32(38)39)30-15-10-24(17-28(19)30)31(37)35-20(2)23-8-11-26(12-9-23)33(5,6)7/h8-17,20,22H,18H2,1-7H3,(H,35,37)(H,38,39)/t20-,22-/s2
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US Patent
n/an/a 0.200n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of 5 nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan- PPAR Green, an...


US Patent US9051265 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM161155
PNG
(US9051265, 63)
Show SMILES C[C@H](Oc1ccc(Cl)c(Cn2c(C)c(C)c3cc(ccc23)C(=O)N[C@@H](C)c2ccc(Br)cc2)c1)C(O)=O
Show InChI InChI=1/C29H28BrClN2O4/c1-16-18(3)33(15-22-13-24(10-11-26(22)31)37-19(4)29(35)36)27-12-7-21(14-25(16)27)28(34)32-17(2)20-5-8-23(30)9-6-20/h5-14,17,19H,15H2,1-4H3,(H,32,34)(H,35,36)/t17-,19-/s2
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US Patent
n/an/a 0.300n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of 5 nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan- PPAR Green, an...


US Patent US9051265 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM147216
PNG
(US8957093, 25)
Show SMILES Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NC(C)(C)c1ccccc1
Show InChI InChI=1S/C34H32N2O3/c1-22-23(2)36(21-24-14-16-25(17-15-24)28-12-8-9-13-29(28)33(38)39)31-19-18-26(20-30(22)31)32(37)35-34(3,4)27-10-6-5-7-11-27/h5-20H,21H2,1-4H3,(H,35,37)(H,38,39)
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n/an/a 0.5n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM147214
PNG
(US8957093, 23)
Show SMILES COc1ccc(cc1)[C@@H](C)NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1
Show InChI InChI=1/C34H32N2O4/c1-21-23(3)36(20-24-9-11-26(12-10-24)29-7-5-6-8-30(29)34(38)39)32-18-15-27(19-31(21)32)33(37)35-22(2)25-13-16-28(40-4)17-14-25/h5-19,22H,20H2,1-4H3,(H,35,37)(H,38,39)/t22-/s2
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n/an/a 0.5n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM147221
PNG
(US8957093, 34)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C#N)c(C)c(C)c2c1)c1ccccc1
Show InChI InChI=1/C34H31N3O/c1-4-32(27-10-6-5-7-11-27)36-34(38)28-18-19-33-31(20-28)23(2)24(3)37(33)22-25-14-16-26(17-15-25)30-13-9-8-12-29(30)21-35/h5-20,32H,4,22H2,1-3H3,(H,36,38)
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US Patent
n/an/a 0.540n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM161147
PNG
(US9051265, 55)
Show SMILES CC(C)c1cccc(c1)[C@H](C)NC(=O)c1ccc2n(Cc3ccc(Cl)c(O[C@@H](C)C(O)=O)c3)c(C)c(C)c2c1
Show InChI InChI=1/C32H35ClN2O4/c1-18(2)24-8-7-9-25(15-24)20(4)34-31(36)26-11-13-29-27(16-26)19(3)21(5)35(29)17-23-10-12-28(33)30(14-23)39-22(6)32(37)38/h7-16,18,20,22H,17H2,1-6H3,(H,34,36)(H,37,38)/t20-,22-/s2
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US Patent
n/an/a 0.600n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of 5 nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan- PPAR Green, an...


US Patent US9051265 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM161148
PNG
(US9051265, 56)
Show SMILES C[C@H](Oc1cc(Cn2c(C)c(C)c3cc(ccc23)C(=O)N[C@@H](C)c2cccc(c2)C2CC2)ccc1Cl)C(O)=O
Show InChI InChI=1/C32H33ClN2O4/c1-18-20(3)35(17-22-8-12-28(33)30(14-22)39-21(4)32(37)38)29-13-11-26(16-27(18)29)31(36)34-19(2)24-6-5-7-25(15-24)23-9-10-23/h5-8,11-16,19,21,23H,9-10,17H2,1-4H3,(H,34,36)(H,37,38)/t19-,21-/s2
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US Patent
n/an/a 0.600n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of 5 nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan- PPAR Green, an...


US Patent US9051265 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM161154
PNG
(US9051265, 62)
Show SMILES C[C@H](Oc1ccc(Cl)c(Cn2c(C)c(C)c3cc(ccc23)C(=O)N[C@@H](C)c2cccc(c2)C2CC2)c1)C(O)=O
Show InChI InChI=1/C32H33ClN2O4/c1-18-20(3)35(17-26-15-27(11-12-29(26)33)39-21(4)32(37)38)30-13-10-25(16-28(18)30)31(36)34-19(2)23-6-5-7-24(14-23)22-8-9-22/h5-7,10-16,19,21-22H,8-9,17H2,1-4H3,(H,34,36)(H,37,38)/t19-,21-/s2
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US Patent
n/an/a 0.600n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of 5 nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan- PPAR Green, an...


US Patent US9051265 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM161149
PNG
(US9051265, 57)
Show SMILES C[C@H](Oc1cc(Cn2c(C)c(C)c3cc(ccc23)C(=O)N[C@@H](C)c2ccc(Br)cc2)ccc1Cl)C(O)=O
Show InChI InChI=1/C29H28BrClN2O4/c1-16-18(3)33(15-20-5-11-25(31)27(13-20)37-19(4)29(35)36)26-12-8-22(14-24(16)26)28(34)32-17(2)21-6-9-23(30)10-7-21/h5-14,17,19H,15H2,1-4H3,(H,32,34)(H,35,36)/t17-,19-/s2
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n/an/a 0.700n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of 5 nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan- PPAR Green, an...


US Patent US9051265 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM147198
PNG
(US8957093, 6)
Show SMILES C[C@@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccc(Br)cc1
Show InChI InChI=1/C33H29BrN2O3/c1-20-22(3)36(19-23-8-10-25(11-9-23)28-6-4-5-7-29(28)33(38)39)31-17-14-26(18-30(20)31)32(37)35-21(2)24-12-15-27(34)16-13-24/h4-18,21H,19H2,1-3H3,(H,35,37)(H,38,39)/t21-/s2
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US Patent
n/an/a 0.700n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM147292
PNG
(US8957093, 114)
Show SMILES CCC[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1
Show InChI InChI=1/C35H34N2O3/c1-4-10-32(27-11-6-5-7-12-27)36-34(38)28-19-20-33-31(21-28)23(2)24(3)37(33)22-25-15-17-26(18-16-25)29-13-8-9-14-30(29)35(39)40/h5-9,11-21,32H,4,10,22H2,1-3H3,(H,36,38)(H,39,40)/t32-/s2
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n/an/a 0.800n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM147291
PNG
(US8957093, 113)
Show SMILES C[C@@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccc(F)cc1
Show InChI InChI=1/C33H29FN2O3/c1-20-22(3)36(19-23-8-10-25(11-9-23)28-6-4-5-7-29(28)33(38)39)31-17-14-26(18-30(20)31)32(37)35-21(2)24-12-15-27(34)16-13-24/h4-18,21H,19H2,1-3H3,(H,35,37)(H,38,39)/t21-/s2
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n/an/a 0.800n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM147210
PNG
(US8957093, 19)
Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1
Show InChI InChI=1/C34H32N2O4/c1-21-23(3)36(20-24-9-11-26(12-10-24)29-7-5-6-8-30(29)34(38)39)32-18-15-27(19-31(21)32)33(37)35-22(2)25-13-16-28(40-4)17-14-25/h5-19,22H,20H2,1-4H3,(H,35,37)(H,38,39)/t22-/s2
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n/an/a 0.900n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


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



Merck Research Laboratories

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM147350
PNG
(US8957093, 187)
Show SMILES C[C@@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c(C)c(C)c2c1)c1cccc(Br)c1
Show InChI InChI=1/C33H29BrN6O/c1-20-22(3)40(19-23-11-13-24(14-12-23)28-9-4-5-10-29(28)32-36-38-39-37-32)31-16-15-26(18-30(20)31)33(41)35-21(2)25-7-6-8-27(34)17-25/h4-18,21H,19H2,1-3H3,(H,35,41)(H,36,37,38,39)/t21-/s2
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n/an/a<1n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


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



Merck Research Laboratories

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM161102
PNG
(US9051265, 8)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(F)cc3F)ccc2c1)c1ccccc1
Show InChI InChI=1/C25H22F2N2O/c1-2-23(17-6-4-3-5-7-17)28-25(30)19-9-11-24-18(14-19)12-13-29(24)16-20-8-10-21(26)15-22(20)27/h3-15,23H,2,16H2,1H3,(H,28,30)
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n/an/a 1n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of 5 nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan- PPAR Green, an...


US Patent US9051265 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM161111
PNG
(US9051265, 17)
Show SMILES C[C@@H](NC(=O)c1ccc2n(Cc3ccc(F)cc3F)ccc2c1)c1ccc(F)cc1
Show InChI InChI=1/C24H19F3N2O/c1-15(16-2-6-20(25)7-3-16)28-24(30)18-5-9-23-17(12-18)10-11-29(23)14-19-4-8-21(26)13-22(19)27/h2-13,15H,14H2,1H3,(H,28,30)/t15-/s2
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n/an/a<1n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of 5 nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan- PPAR Green, an...


US Patent US9051265 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


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



Merck Research Laboratories

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM161115
PNG
(US9051265, 21)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(F)cc3F)c(C)c(C)c2c1)c1ccccc1
Show InChI InChI=1/C27H26F2N2O/c1-4-25(19-8-6-5-7-9-19)30-27(32)20-11-13-26-23(14-20)17(2)18(3)31(26)16-21-10-12-22(28)15-24(21)29/h5-15,25H,4,16H2,1-3H3,(H,30,32)
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n/an/a<1n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of 5 nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan- PPAR Green, an...


US Patent US9051265 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50166300
PNG
((S)-2-{2-Chloro-5-[1-(6-chloro-benzo[d]isoxazol-3-...)
Show SMILES C[C@H](Oc1cc(Oc2c(C)n(-c3noc4cc(Cl)ccc34)c3ccc(OC(F)(F)F)cc23)ccc1Cl)C(O)=O
Show InChI InChI=1S/C26H17Cl2F3N2O6/c1-12-23(37-15-4-7-19(28)22(11-15)36-13(2)25(34)35)18-10-16(38-26(29,30)31)5-8-20(18)33(12)24-17-6-3-14(27)9-21(17)39-32-24/h3-11,13H,1-2H3,(H,34,35)/t13-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50166292
PNG
((S)-2-{3-[1-(4-Methoxy-phenyl)-2-methyl-5-trifluor...)
Show SMILES COc1ccc(cc1)-n1c(C)c(Cc2cccc(O[C@@H](C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C27H24F3NO5/c1-16-23(14-18-5-4-6-21(13-18)35-17(2)26(32)33)24-15-22(36-27(28,29)30)11-12-25(24)31(16)19-7-9-20(34-3)10-8-19/h4-13,15,17H,14H2,1-3H3,(H,32,33)/t17-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


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

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50244700
PNG
((S)-2-(2-fluoro-5-((6-methoxy-3-(4-methoxybenzoyl)...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(Cc2ccc(F)c(O[C@@H](C)C(O)=O)c2)c2nc(OC)ccc12
Show InChI InChI=1S/C27H25FN2O6/c1-15-24(25(31)18-6-8-19(34-3)9-7-18)20-10-12-23(35-4)29-26(20)30(15)14-17-5-11-21(28)22(13-17)36-16(2)27(32)33/h5-13,16H,14H2,1-4H3,(H,32,33)/t16-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2AD-5075 from GST-tagged human PPARgamma receptor expressed in Escherichia coli BL21


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50193734
PNG
(2-{[3-(4-methoxy-phenyl)-1-(3-trifluoromethyl-benz...)
Show SMILES COC(=O)c1ccccc1S(=O)(=O)NC(=O)c1c(-c2ccc(OC)cc2)c2ccccc2n1Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C32H25F3N2O6S/c1-42-23-16-14-21(15-17-23)28-24-10-3-5-12-26(24)37(19-20-8-7-9-22(18-20)32(33,34)35)29(28)30(38)36-44(40,41)27-13-6-4-11-25(27)31(39)43-2/h3-18H,19H2,1-2H3,(H,36,38)
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n/an/a 1n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of Fluormone from PPAR gamma


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50277469
PNG
(2-(S)-2-(2-benzoyl-phenylamino)-3-{4-[2-(5-methyl-...)
Show SMILES CC(=O)c1ccccc1N[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C29H28N2O5/c1-19(32)24-10-6-7-11-26(24)30-27(29(33)34)18-21-12-14-23(15-13-21)35-17-16-25-20(2)36-28(31-25)22-8-4-3-5-9-22/h3-15,27,30H,16-18H2,1-2H3,(H,33,34)/t27-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50244556
PNG
((2S)-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-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2AD-5075 from GST-tagged human PPARgamma receptor expressed in Escherichia coli BL21


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H2]nTZD3 from human recombinant GST-fused PPARgamma expressed in Escherichia coli by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50268271
PNG
((S)-2-(3-((3-(4-methoxybenzoyl)-2-methyl-6-(triflu...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(Cc2cccc(O[C@@H](C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C28H24F3NO6/c1-16-25(26(33)19-7-9-20(36-3)10-8-19)23-12-11-22(38-28(29,30)31)14-24(23)32(16)15-18-5-4-6-21(13-18)37-17(2)27(34)35/h4-14,17H,15H2,1-3H3,(H,34,35)/t17-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H2]nTZD3 from human recombinant GST-fused PPARgamma expressed in Escherichia coli by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50267990
PNG
((S)-2-(2-chloro-5-((3-(4-chlorophenoxy)-2-methyl-6...)
Show SMILES C[C@H](Oc1cc(Cn2c(C)c(Oc3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)ccc1Cl)C(O)=O
Show InChI InChI=1S/C26H20Cl2F3NO5/c1-14-24(36-18-6-4-17(27)5-7-18)20-9-8-19(37-26(29,30)31)12-22(20)32(14)13-16-3-10-21(28)23(11-16)35-15(2)25(33)34/h3-12,15H,13H2,1-2H3,(H,33,34)/t15-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H2]nTZD3 from human recombinant GST-fused PPARgamma expressed in Escherichia coli by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50244556
PNG
((2S)-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-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PPARgamma receptor by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50293854
PNG
(2-(3-((1-(4-chlorobenzoyl)-2-methyl-5-(trifluorome...)
Show SMILES Cc1c(Cc2cccc(OCC(O)=O)c2)c2cc(OC(F)(F)F)ccc2n1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H19ClF3NO5/c1-15-21(12-16-3-2-4-19(11-16)35-14-24(32)33)22-13-20(36-26(28,29)30)9-10-23(22)31(15)25(34)17-5-7-18(27)8-6-17/h2-11,13H,12,14H2,1H3,(H,32,33)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PPARgamma receptor by scintillation proximity assay


Citation and Details
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/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PPARgamma receptor by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM147324
PNG
(US8957093, 156)
Show SMILES CC(C)[C@@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3)c(C)c(C)c2c1)c1cccc(c1)C(C)C
Show InChI InChI=1/C37H40N2O/c1-24(2)31-13-10-14-32(21-31)36(25(3)4)38-37(40)33-19-20-35-34(22-33)26(5)27(6)39(35)23-28-15-17-30(18-16-28)29-11-8-7-9-12-29/h7-22,24-25,36H,23H2,1-6H3,(H,38,40)/t36-/s2
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n/an/a<1n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM147327
PNG
(US8957093, 159)
Show SMILES C[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3)c(C)c(C)c2c1)c1ccccc1Cl
Show InChI InChI=1/C32H29ClN2O/c1-21-23(3)35(20-24-13-15-26(16-14-24)25-9-5-4-6-10-25)31-18-17-27(19-29(21)31)32(36)34-22(2)28-11-7-8-12-30(28)33/h4-19,22H,20H2,1-3H3,(H,34,36)/t22-/s2
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n/an/a<1n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM147330
PNG
(US8957093, 162)
Show SMILES C[C@@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3)c(C)c(C)c2c1)c1cccc(Cl)c1
Show InChI InChI=1/C32H29ClN2O/c1-21-23(3)35(20-24-12-14-26(15-13-24)25-8-5-4-6-9-25)31-17-16-28(19-30(21)31)32(36)34-22(2)27-10-7-11-29(33)18-27/h4-19,22H,20H2,1-3H3,(H,34,36)/t22-/s2
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n/an/a<1n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM147334
PNG
(US8957093, 166)
Show SMILES CC(C)c1cccc(c1)[C@@H](C)NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3)c(C)c(C)c2c1
Show InChI InChI=1/C35H36N2O/c1-23(2)30-12-9-13-31(20-30)25(4)36-35(38)32-18-19-34-33(21-32)24(3)26(5)37(34)22-27-14-16-29(17-15-27)28-10-7-6-8-11-28/h6-21,23,25H,22H2,1-5H3,(H,36,38)/t25-/s2
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n/an/a<1n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM147346
PNG
(US8957093, 180)
Show SMILES Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1)C(=O)NC(C)(C)c1ccc(Br)cc1
Show InChI InChI=1S/C33H31BrN2O/c1-22-23(2)36(21-24-10-12-26(13-11-24)25-8-6-5-7-9-25)31-19-14-27(20-30(22)31)32(37)35-33(3,4)28-15-17-29(34)18-16-28/h5-20H,21H2,1-4H3,(H,35,37)
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n/an/a 1n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM147263
PNG
(US8957093, 83)
Show SMILES Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1cccs1
Show InChI InChI=1S/C30H26N2O3S/c1-19-20(2)32(18-21-9-11-22(12-10-21)25-7-3-4-8-26(25)30(34)35)28-14-13-23(16-27(19)28)29(33)31-17-24-6-5-15-36-24/h3-16H,17-18H2,1-2H3,(H,31,33)(H,34,35)
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n/an/a 1n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50306515
PNG
(4'-((5-(benzylcarbamoyl)-2,3-dimethyl-1H-indol-1-y...)
Show SMILES Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C32H28N2O3/c1-21-22(2)34(20-24-12-14-25(15-13-24)27-10-6-7-11-28(27)32(36)37)30-17-16-26(18-29(21)30)31(35)33-19-23-8-4-3-5-9-23/h3-18H,19-20H2,1-2H3,(H,33,35)(H,36,37)
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n/an/a 1n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM147370
PNG
(US8957093, 207)
Show SMILES C[C@@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1C(F)(F)F
Show InChI InChI=1/C34H29F3N2O3/c1-20-22(3)39(19-23-12-14-24(15-13-23)27-9-4-5-10-28(27)33(41)42)31-17-16-25(18-29(20)31)32(40)38-21(2)26-8-6-7-11-30(26)34(35,36)37/h4-18,21H,19H2,1-3H3,(H,38,40)(H,41,42)/t21-/s2
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n/an/a 1n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM147397
PNG
(US8957093, 234)
Show SMILES C[C@@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3)c(C)c(C)c2c1)c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1/C33H28F4N2O/c1-20-22(3)39(19-23-9-11-25(12-10-23)24-7-5-4-6-8-24)31-16-14-27(17-28(20)31)32(40)38-21(2)26-13-15-29(30(34)18-26)33(35,36)37/h4-18,21H,19H2,1-3H3,(H,38,40)/t21-/s2
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n/an/a<1n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM147313
PNG
(US8957093, 145)
Show SMILES C[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3)c(C)c(C)c2c1)c1cccc(F)c1C
Show InChI InChI=1/C33H31FN2O/c1-21-24(4)36(20-25-13-15-27(16-14-25)26-9-6-5-7-10-26)32-18-17-28(19-30(21)32)33(37)35-23(3)29-11-8-12-31(34)22(29)2/h5-19,23H,20H2,1-4H3,(H,35,37)/t23-/s2
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n/an/a<1n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM147416
PNG
(US8957093, 254)
Show SMILES C[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1Br
Show InChI InChI=1/C33H29BrN2O3/c1-20-22(3)36(19-23-12-14-24(15-13-23)27-9-4-5-10-28(27)33(38)39)31-17-16-25(18-29(20)31)32(37)35-21(2)26-8-6-7-11-30(26)34/h4-18,21H,19H2,1-3H3,(H,35,37)(H,38,39)/t21-/s2
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n/an/a 1n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM147434
PNG
(US8957093, 272)
Show SMILES CC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1cccc(n1)C1CC1
Show InChI InChI=1/C35H33N3O3/c1-21-23(3)38(20-24-11-13-25(14-12-24)28-7-4-5-8-29(28)35(40)41)33-18-17-27(19-30(21)33)34(39)36-22(2)31-9-6-10-32(37-31)26-15-16-26/h4-14,17-19,22,26H,15-16,20H2,1-3H3,(H,36,39)(H,40,41)
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n/an/a<1n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM147442
PNG
(US8957093, 296)
Show SMILES C[C@@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1cccc(Br)c1
Show InChI InChI=1/C33H29BrN2O3/c1-20-22(3)36(19-23-11-13-24(14-12-23)28-9-4-5-10-29(28)33(38)39)31-16-15-26(18-30(20)31)32(37)35-21(2)25-7-6-8-27(34)17-25/h4-18,21H,19H2,1-3H3,(H,35,37)(H,38,39)/t21-/s2
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n/an/a<1n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50244702
PNG
((S)-2-(2-chloro-5-((6-methoxy-3-(4-methoxybenzoyl)...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(Cc2ccc(Cl)c(O[C@@H](C)C(O)=O)c2)c2nc(OC)ccc12
Show InChI InChI=1S/C27H25ClN2O6/c1-15-24(25(31)18-6-8-19(34-3)9-7-18)20-10-12-23(35-4)29-26(20)30(15)14-17-5-11-21(28)22(13-17)36-16(2)27(32)33/h5-13,16H,14H2,1-4H3,(H,32,33)/t16-/m0/s1
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n/an/a<1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2AD-5075 from GST-tagged human PPARgamma receptor expressed in Escherichia coli BL21


Citation and Details
More data for this
Ligand-Target Pair
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