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Compile Data Set for Download or QSAR

Found 126 hits of ec50 data for polymerid = 50001093,50002355,50004898   
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 gamma


(Mus musculus)
BDBM50085044
PNG
((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1
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n/an/an/an/a 0.350n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Agonist activity for murine PPAR gamma receptor in transcriptional activation assay


J Med Chem 43: 527-50 (2000)

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


(Mus musculus)
BDBM50085044
PNG
((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1
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n/an/an/an/a 0.350n/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Compound was tested functionally in vitro for inducing 50% of the maximum alkaline phosphatase activity (Transactivation) against murine Peroxisome p...


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


(Mus musculus)
BDBM50085046
PNG
(2-((S)-1-carboxy-2-{4-[2-(5-methyl-2-phenyl-oxazol...)
Show SMILES COC(=O)c1ccccc1N[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C29H28N2O6/c1-19-24(31-27(37-19)21-8-4-3-5-9-21)16-17-36-22-14-12-20(13-15-22)18-26(28(32)33)30-25-11-7-6-10-23(25)29(34)35-2/h3-15,26,30H,16-18H2,1-2H3,(H,32,33)/t26-/m0/s1
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n/an/an/an/a 1.20n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Agonist activity for murine PPAR gamma receptor in transcriptional activation assay


J Med Chem 43: 527-50 (2000)

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


(Mus musculus)
BDBM50306508
PNG
(4'-((2,3-dimethyl-5-(1-phenylpropylcarbamoyl)-1H-i...)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1
Show InChI InChI=1S/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)
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n/an/an/an/a 2n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARgamma expressed in african green monkey CV1 cells by Gal4 transactivation assay


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


(Mus musculus)
BDBM50448033
PNG
(CHEMBL3115237)
Show SMILES CCCc1c(Cc2ccc(cc2)-c2ccccc2C(O)=O)c2ccc(cc2n1C)C(=O)NC(CC)c1ccccc1
Show InChI InChI=1S/C36H36N2O3/c1-4-11-33-31(22-24-16-18-25(19-17-24)28-14-9-10-15-30(28)36(40)41)29-21-20-27(23-34(29)38(33)3)35(39)37-32(5-2)26-12-7-6-8-13-26/h6-10,12-21,23,32H,4-5,11,22H2,1-3H3,(H,37,39)(H,40,41)
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n/an/an/an/a 3n/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARgamma expressed in CV-1 cells by reporter gene assay


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


(Mus musculus)
BDBM50418564
PNG
(CHEMBL423026)
Show SMILES CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C32H29N3O5/c1-35(32-34-27-13-7-8-14-29(27)40-32)19-20-39-24-17-15-22(16-18-24)21-28(31(37)38)33-26-12-6-5-11-25(26)30(36)23-9-3-2-4-10-23/h2-18,28,33H,19-21H2,1H3,(H,37,38)/t28-/m0/s1
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n/an/an/an/a 4.70n/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Compound was tested functionally in vitro for inducing 50% of the maximum alkaline phosphatase activity (Transactivation) against murine Peroxisome p...


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50448032
PNG
(CHEMBL3115238)
Show SMILES CCCc1[nH]c2cc(ccc2c1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NC(CC)c1ccccc1
Show InChI InChI=1S/C35H34N2O3/c1-3-10-32-30(21-23-15-17-24(18-16-23)27-13-8-9-14-29(27)35(39)40)28-20-19-26(22-33(28)36-32)34(38)37-31(4-2)25-11-6-5-7-12-25/h5-9,11-20,22,31,36H,3-4,10,21H2,1-2H3,(H,37,38)(H,39,40)
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n/an/an/an/a 9n/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARgamma expressed in CV-1 cells by reporter gene assay


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


(Mus musculus)
BDBM50085040
PNG
(CHEMBL278994 | L-796449 | {3-Chloro-4-[3-(3-phenyl...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(coc12)-c1ccccc1
Show InChI InChI=1S/C28H27ClO4S/c1-2-7-22-25(12-11-21-23(18-33-28(21)22)20-8-4-3-5-9-20)32-14-6-15-34-26-13-10-19(16-24(26)29)17-27(30)31/h3-5,8-13,16,18H,2,6-7,14-15,17H2,1H3,(H,30,31)
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n/an/an/an/a 10n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Agonist activity for murine PPAR gamma receptor in transcriptional activation assay


J Med Chem 43: 527-50 (2000)

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


(Mus musculus)
BDBM50246525
PNG
(2-(4-((5-(4-tert-butylphenyl)-1-methyl-1H-pyrazole...)
Show SMILES Cc1cc(CNC(=O)c2cc(-c3ccc(cc3)C(C)(C)C)n(C)n2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C27H33N3O4/c1-17-14-18(8-13-23(17)34-27(5,6)25(32)33)16-28-24(31)21-15-22(30(7)29-21)19-9-11-20(12-10-19)26(2,3)4/h8-15H,16H2,1-7H3,(H,28,31)(H,32,33)
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n/an/an/an/a 11n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARgamma receptor by cell based transient transfection assay


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


(Mus musculus)
BDBM50081222
PNG
(2-(4-{2-[1-Cycloheptyl-3-(2,4-difluoro-phenyl)-ure...)
Show SMILES CC(C)(Oc1ccc(CCN(C2CCCCCC2)C(=O)Nc2ccc(F)cc2F)cc1)C(O)=O
Show InChI InChI=1S/C26H32F2N2O4/c1-26(2,24(31)32)34-21-12-9-18(10-13-21)15-16-30(20-7-5-3-4-6-8-20)25(33)29-23-14-11-19(27)17-22(23)28/h9-14,17,20H,3-8,15-16H2,1-2H3,(H,29,33)(H,31,32)
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n/an/an/an/a 12n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Compound was tested for its agonist activity against murine Peroxisome proliferator activated receptor gamma-Gal4 chimeric receptor in transfected CV...


J Med Chem 42: 3785-8 (1999)

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


(Mus musculus)
BDBM50049244
PNG
(5-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-be...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C20H19N3O4S/c1-23(19-21-15-4-2-3-5-16(15)27-19)10-11-26-14-8-6-13(7-9-14)12-17-18(24)22-20(25)28-17/h2-9,24H,10-12H2,1H3,(H,22,25)
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n/an/an/an/a 13n/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro transcriptional activation of Peroxisome proliferator activated receptor gamma (PPAR) expressed in CV-1 cells


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


(Mus musculus)
BDBM50085048
PNG
((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(methyl-pyri...)
Show SMILES CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1ccccn1
Show InChI InChI=1S/C30H29N3O4/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23/h2-18,27,32H,19-21H2,1H3,(H,35,36)/t27-/m0/s1
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n/an/an/an/a 13n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Agonist activity for murine PPAR gamma receptor in transcriptional activation assay


J Med Chem 43: 527-50 (2000)

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


(Mus musculus)
BDBM50085048
PNG
((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(methyl-pyri...)
Show SMILES CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1ccccn1
Show InChI InChI=1S/C30H29N3O4/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23/h2-18,27,32H,19-21H2,1H3,(H,35,36)/t27-/m0/s1
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n/an/an/an/a 13n/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Compound was tested functionally in vitro for inducing 50% of the maximum alkaline phosphatase activity (Transactivation) against murine Peroxisome p...


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50085048
PNG
((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(methyl-pyri...)
Show SMILES CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1ccccn1
Show InChI InChI=1S/C30H29N3O4/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23/h2-18,27,32H,19-21H2,1H3,(H,35,36)/t27-/m0/s1
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n/an/an/an/a 13n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARgamma expressed in african green monkey CV1 cells by Gal4 transactivation assay


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


(Mus musculus)
BDBM50245782
PNG
(2-(4-((5-(4-isopropylphenyl)-1-methyl-1H-pyrazole-...)
Show SMILES CC(C)c1ccc(cc1)-c1cc(nn1C)C(=O)NCc1ccc(OC(C)(C)C(O)=O)c(C)c1
Show InChI InChI=1S/C26H31N3O4/c1-16(2)19-8-10-20(11-9-19)22-14-21(28-29(22)6)24(30)27-15-18-7-12-23(17(3)13-18)33-26(4,5)25(31)32/h7-14,16H,15H2,1-6H3,(H,27,30)(H,31,32)
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n/an/an/an/a 16n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARgamma receptor by cell based transient transfection assay


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


(Mus musculus)
BDBM50106105
PNG
(2-[3-(3-{(2,4-Bis-trifluoromethyl-benzyl)-[2-(4-tr...)
Show SMILES CC(C)(Oc1cccc(CCCN(Cc2ccc(cc2C(F)(F)F)C(F)(F)F)C(=O)Cc2ccc(cc2)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C31H28F9NO4/c1-28(2,27(43)44)45-24-7-3-5-19(15-24)6-4-14-41(26(42)16-20-8-11-22(12-9-20)29(32,33)34)18-21-10-13-23(30(35,36)37)17-25(21)31(38,39)40/h3,5,7-13,15,17H,4,6,14,16,18H2,1-2H3,(H,43,44)
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n/an/an/an/a 28n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity against PPAR gamma


Bioorg Med Chem Lett 11: 2959-62 (2001)

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


(Mus musculus)
BDBM50200403
PNG
((S)-2-(5-(3-((2-(4-isopropylphenyl)-5-methylpyrimi...)
Show SMILES CC(C)c1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C29H35N3O3/c1-19(2)21-6-8-22(9-7-21)28-30-18-20(3)29(31-28)32(4)14-5-15-35-25-12-13-26-23(16-25)10-11-24(26)17-27(33)34/h6-9,12-13,16,18-19,24H,5,10-11,14-15,17H2,1-4H3,(H,33,34)/t24-/m0/s1
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n/an/an/an/a 29n/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma in mouse 3T3-L1 cells by IRBA


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


(Mus musculus)
BDBM50030474
PNG
(Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)
Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
Show InChI InChI=1/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)
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n/an/an/an/a 30n/an/an/an/a



Institute of Chinese Materia Medica

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARgamma expressed in HEK293 cells co-expressing with Gal4 reporter vector after 24 hrs by dual-luciferase reporter assay


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


(Mus musculus)
BDBM50200402
PNG
(2-((S)-5-(3-(5-(5-acetyl-4-methylthiazol-2-yl)pyri...)
Show SMILES CC(=O)c1sc(nc1C)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)nc1
Show InChI InChI=1S/C25H26N2O5S/c1-15-24(16(2)28)33-25(27-15)19-6-9-22(26-14-19)32-11-3-10-31-20-7-8-21-17(12-20)4-5-18(21)13-23(29)30/h6-9,12,14,18H,3-5,10-11,13H2,1-2H3,(H,29,30)/t18-/m0/s1
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n/an/an/an/a 35n/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma in mouse 3T3-L1 cells by IRBA


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


(Mus musculus)
BDBM50245843
PNG
(2-(4-((5-(4-tert-butylphenyl)-1-ethyl-1H-pyrazole-...)
Show SMILES CCn1nc(cc1-c1ccc(cc1)C(C)(C)C)C(=O)NCc1ccc(OC(C)(C)C(O)=O)c(C)c1
Show InChI InChI=1S/C28H35N3O4/c1-8-31-23(20-10-12-21(13-11-20)27(3,4)5)16-22(30-31)25(32)29-17-19-9-14-24(18(2)15-19)35-28(6,7)26(33)34/h9-16H,8,17H2,1-7H3,(H,29,32)(H,33,34)
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n/an/an/an/a 36n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARgamma receptor by cell based transient transfection assay


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


(Mus musculus)
BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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n/an/an/an/a 60n/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro transcriptional activation of Peroxisome proliferator activated receptor gamma (PPAR) expressed in CV-1 cells


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


(Mus musculus)
BDBM50246088
PNG
(2-methyl-2-[2-methyl-4-({[1-methyl-5-(2'-methyl-bi...)
Show SMILES Cc1cc(CNC(=O)c2cc(-c3ccc(cc3)-c3ccccc3C)n(C)n2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C30H31N3O4/c1-19-8-6-7-9-24(19)22-11-13-23(14-12-22)26-17-25(32-33(26)5)28(34)31-18-21-10-15-27(20(2)16-21)37-30(3,4)29(35)36/h6-17H,18H2,1-5H3,(H,31,34)(H,35,36)
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n/an/an/an/a 60n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARgamma receptor by cell based transient transfection assay


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


(Mus musculus)
BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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n/an/an/an/a 76n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Agonist activity for murine PPAR gamma receptor in transcriptional activation assay


J Med Chem 43: 527-50 (2000)

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


(Mus musculus)
BDBM50064455
PNG
(4-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-be...)
Show SMILES Cc1oc(nc1CCOc1ccc(Cc2c(O)[nH]oc2=O)cc1)-c1ccccc1
Show InChI InChI=1S/C22H20N2O5/c1-14-19(23-21(28-14)16-5-3-2-4-6-16)11-12-27-17-9-7-15(8-10-17)13-18-20(25)24-29-22(18)26/h2-10,24-25H,11-13H2,1H3
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n/an/an/an/a 89n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Agonist activity for murine PPAR gamma receptor in transcriptional activation assay


J Med Chem 43: 527-50 (2000)

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


(Mus musculus)
BDBM50085043
PNG
(3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...)
Show SMILES CCOC(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(O)=O
Show InChI InChI=1S/C21H24N2O5/c1-3-26-19(20(24)25)14-15-8-10-16(11-9-15)27-13-12-23(2)21-22-17-6-4-5-7-18(17)28-21/h4-11,19H,3,12-14H2,1-2H3,(H,24,25)
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n/an/an/an/a 100n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Agonist activity for murine PPAR gamma receptor in transcriptional activation assay


J Med Chem 43: 527-50 (2000)

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


(Mus musculus)
BDBM50448025
PNG
(CHEMBL3115243)
Show SMILES CCCc1nn2ccc(cc2c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1nc2ccccc2n1CCC
Show InChI InChI=1S/C34H32N8/c1-3-9-29-28(21-23-14-16-24(17-15-23)26-10-5-6-11-27(26)33-36-39-40-37-33)32-22-25(18-20-42(32)38-29)34-35-30-12-7-8-13-31(30)41(34)19-4-2/h5-8,10-18,20,22H,3-4,9,19,21H2,1-2H3,(H,36,37,39,40)
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n/an/an/an/a 130n/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARgamma expressed in CV-1 cells by reporter gene assay


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


(Mus musculus)
BDBM50075315
PNG
(5-(2,4-Dioxo-thiazolidin-5-ylmethyl)-2-methoxy-N-(...)
Show SMILES COc1ccc(Cc2sc(=O)[nH]c2O)cc1C(=O)NCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H17F3N2O4S/c1-29-15-7-4-12(9-16-18(27)25-19(28)30-16)8-14(15)17(26)24-10-11-2-5-13(6-3-11)20(21,22)23/h2-8,27H,9-10H2,1H3,(H,24,26)(H,25,28)
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n/an/an/an/a 140n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Agonist activity for murine PPAR gamma receptor in transcriptional activation assay


J Med Chem 43: 527-50 (2000)

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


(Mus musculus)
BDBM50049239
PNG
(5-[1-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]...)
Show SMILES CN(CCOc1ccc(C=C2SC(O)=NC2=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C20H17N3O4S/c1-23(19-21-15-4-2-3-5-16(15)27-19)10-11-26-14-8-6-13(7-9-14)12-17-18(24)22-20(25)28-17/h2-9,12H,10-11H2,1H3,(H,22,24,25)
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n/an/an/an/a 140n/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro transcriptional activation of Peroxisome proliferator activated receptor gamma (PPAR) expressed in CV-1 cells


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


(Mus musculus)
BDBM50083625
PNG
(CHEMBL320553 | {3-[2-(4-Methoxy-phenyl)-ethyl]-2-p...)
Show SMILES COc1ccc(CCc2c([nH]c3ccc(CC(O)=O)cc23)-c2ccccc2)cc1
Show InChI InChI=1S/C25H23NO3/c1-29-20-11-7-17(8-12-20)9-13-21-22-15-18(16-24(27)28)10-14-23(22)26-25(21)19-5-3-2-4-6-19/h2-8,10-12,14-15,26H,9,13,16H2,1H3,(H,27,28)
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n/an/an/an/a 140n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Agonist activity for murine PPAR gamma receptor in transcriptional activation assay


J Med Chem 43: 527-50 (2000)

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


(Mus musculus)
BDBM50200411
PNG
((S)-2-(5-(3-((2-(4-ethylphenyl)-5-methylpyrimidin-...)
Show SMILES CCc1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C28H33N3O3/c1-4-20-6-8-21(9-7-20)27-29-18-19(2)28(30-27)31(3)14-5-15-34-24-12-13-25-22(16-24)10-11-23(25)17-26(32)33/h6-9,12-13,16,18,23H,4-5,10-11,14-15,17H2,1-3H3,(H,32,33)/t23-/m0/s1
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n/an/an/an/a 145n/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma in mouse 3T3-L1 cells by IRBA


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


(Mus musculus)
BDBM50245945
PNG
(2-(4-((1-allyl-5-(4-tert-butylphenyl)-1H-pyrazole-...)
Show SMILES Cc1cc(CNC(=O)c2cc(-c3ccc(cc3)C(C)(C)C)n(CC=C)n2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C29H35N3O4/c1-8-15-32-24(21-10-12-22(13-11-21)28(3,4)5)17-23(31-32)26(33)30-18-20-9-14-25(19(2)16-20)36-29(6,7)27(34)35/h8-14,16-17H,1,15,18H2,2-7H3,(H,30,33)(H,34,35)
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n/an/an/an/a 150n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARgamma receptor by cell based transient transfection assay


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


(Mus musculus)
BDBM50148090
PNG
((R)-7-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-p...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C27H26ClFO6/c1-2-27(26(30)31)13-12-18-4-7-21(17-25(18)35-27)32-14-3-15-33-24-11-10-22(16-23(24)28)34-20-8-5-19(29)6-9-20/h4-11,16-17H,2-3,12-15H2,1H3,(H,30,31)/t27-/m1/s1
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n/an/an/an/a 150n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transcriptional activation by PPAR gamma


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


(Mus musculus)
BDBM50200410
PNG
((S)-2-(5-(3-((2-(4-tert-butylphenyl)-5-methylpyrim...)
Show SMILES CN(CCCOc1ccc2[C@H](CC(O)=O)CCc2c1)c1nc(ncc1C)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C30H37N3O3/c1-20-19-31-28(21-9-11-24(12-10-21)30(2,3)4)32-29(20)33(5)15-6-16-36-25-13-14-26-22(17-25)7-8-23(26)18-27(34)35/h9-14,17,19,23H,6-8,15-16,18H2,1-5H3,(H,34,35)/t23-/m0/s1
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n/an/an/an/a 156n/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma in mouse 3T3-L1 cells by IRBA


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


(Rattus norvegicus)
BDBM50322695
PNG
(4,6-Bis(benzylthio)-2-(methylthio)pyrimidine-5-car...)
Show SMILES CSc1nc(SCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1
Show InChI InChI=1S/C20H18N2O2S3/c1-25-20-21-17(26-12-14-8-4-2-5-9-14)16(19(23)24)18(22-20)27-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,23,24)
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n/an/an/an/a 158n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Partial agonist activity at rat PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation a...


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


(Mus musculus)
BDBM50322695
PNG
(4,6-Bis(benzylthio)-2-(methylthio)pyrimidine-5-car...)
Show SMILES CSc1nc(SCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1
Show InChI InChI=1S/C20H18N2O2S3/c1-25-20-21-17(26-12-14-8-4-2-5-9-14)16(19(23)24)18(22-20)27-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,23,24)
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n/an/an/an/a 158n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Partial agonist activity at mouse PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation...


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


(Mus musculus)
BDBM50200416
PNG
((S)-2-(5-(3-((2-(4-ethoxyphenyl)-5-methylpyrimidin...)
Show SMILES CCOc1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C28H33N3O4/c1-4-34-23-10-8-20(9-11-23)27-29-18-19(2)28(30-27)31(3)14-5-15-35-24-12-13-25-21(16-24)6-7-22(25)17-26(32)33/h8-13,16,18,22H,4-7,14-15,17H2,1-3H3,(H,32,33)/t22-/m0/s1
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n/an/an/an/a 161n/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma in mouse 3T3-L1 cells by IRBA


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


(Mus musculus)
BDBM50049242
PNG
(5-[1-{4-[2-(Methyl-pyridin-2-yl-amino)-ethoxy]-phe...)
Show SMILES CN(CCOc1ccc(C=C2SC(O)=NC2=O)cc1)c1ccccn1
Show InChI InChI=1S/C18H17N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,12H,10-11H2,1H3,(H,20,22,23)
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n/an/an/an/a 190n/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro transcriptional activation of Peroxisome proliferator activated receptor gamma (PPAR) expressed in CV-1 cells


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


(Mus musculus)
BDBM50448031
PNG
(CHEMBL3115239)
Show SMILES CCCc1c(Cc2ccc(cc2)-c2ccccc2C(O)=O)c2cc(ccc2n1OC)C(=O)NC(CC)c1ccccc1
Show InChI InChI=1S/C36H36N2O4/c1-4-11-33-30(22-24-16-18-25(19-17-24)28-14-9-10-15-29(28)36(40)41)31-23-27(20-21-34(31)38(33)42-3)35(39)37-32(5-2)26-12-7-6-8-13-26/h6-10,12-21,23,32H,4-5,11,22H2,1-3H3,(H,37,39)(H,40,41)
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n/an/an/an/a 200n/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARgamma expressed in CV-1 cells by reporter gene assay


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


(Mus musculus)
BDBM50200415
PNG
((S)-2-(5-(3-((2-(4-acetylphenyl)-5-methylpyrimidin...)
Show SMILES CN(CCCOc1ccc2[C@H](CC(O)=O)CCc2c1)c1nc(ncc1C)-c1ccc(cc1)C(C)=O
Show InChI InChI=1S/C28H31N3O4/c1-18-17-29-27(21-7-5-20(6-8-21)19(2)32)30-28(18)31(3)13-4-14-35-24-11-12-25-22(15-24)9-10-23(25)16-26(33)34/h5-8,11-12,15,17,23H,4,9-10,13-14,16H2,1-3H3,(H,33,34)/t23-/m0/s1
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n/an/an/an/a 237n/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma in mouse 3T3-L1 cells by IRBA


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


(Mus musculus)
BDBM50448026
PNG
(CHEMBL3115244)
Show SMILES CCCn1nc2ccc(cc2c1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NC(CC)c1ccccc1
Show InChI InChI=1S/C34H33N3O3/c1-3-20-37-32(21-23-14-16-24(17-15-23)27-12-8-9-13-28(27)34(39)40)29-22-26(18-19-31(29)36-37)33(38)35-30(4-2)25-10-6-5-7-11-25/h5-19,22,30H,3-4,20-21H2,1-2H3,(H,35,38)(H,39,40)
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n/an/an/an/a 250n/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Partial agonist activity at mouse PPARgamma expressed in CV-1 cells by reporter gene assay


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


(Mus musculus)
BDBM50448027
PNG
(CHEMBL3115245)
Show SMILES CCCc1nn2ccc(cc2c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)NC(CC)c1ccccc1
Show InChI InChI=1S/C34H33N7O/c1-3-10-31-29(21-23-15-17-24(18-16-23)27-13-8-9-14-28(27)33-36-39-40-37-33)32-22-26(19-20-41(32)38-31)34(42)35-30(4-2)25-11-6-5-7-12-25/h5-9,11-20,22,30H,3-4,10,21H2,1-2H3,(H,35,42)(H,36,37,39,40)
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n/an/an/an/a 250n/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARgamma expressed in CV-1 cells by reporter gene assay


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


(Mus musculus)
BDBM28798
PNG
((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)
Show SMILES CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(O)=O
Show InChI InChI=1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1
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n/an/an/an/a 250n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Effective concentration against murine peroxisome proliferator activated receptor gamma in Gal4 transactivation assay


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


(Mus musculus)
BDBM50200417
PNG
(2-((S)-5-(3-(5-(4-ethylthiazol-2-yl)pyridin-2-ylox...)
Show SMILES CCc1csc(n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)nc1
Show InChI InChI=1S/C24H26N2O4S/c1-2-19-15-31-24(26-19)18-6-9-22(25-14-18)30-11-3-10-29-20-7-8-21-16(12-20)4-5-17(21)13-23(27)28/h6-9,12,14-15,17H,2-5,10-11,13H2,1H3,(H,27,28)/t17-/m0/s1
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n/an/an/an/a 264n/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma in mouse 3T3-L1 cells by IRBA


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


(Mus musculus)
BDBM50448029
PNG
(CHEMBL3115247)
Show SMILES CCCCn1c(nc2ccccc12)-c1ccc2nn(CCC)c(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2c1
Show InChI InChI=1S/C35H34N8/c1-3-5-21-42-32-13-9-8-12-31(32)36-35(42)26-18-19-30-29(23-26)33(43(39-30)20-4-2)22-24-14-16-25(17-15-24)27-10-6-7-11-28(27)34-37-40-41-38-34/h6-19,23H,3-5,20-22H2,1-2H3,(H,37,38,40,41)
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n/an/an/an/a 270n/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Partial agonist activity at mouse PPARgamma expressed in CV-1 cells by reporter gene assay


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


(Mus musculus)
BDBM50319262
PNG
(2-(4-(((2-(2,4-dimethylphenylamino)-2-oxoethyl)(fu...)
Show SMILES Cc1ccc(NC(=O)CN(Cc2ccco2)Cc2ccc(OC(C)(C)C(O)=O)cc2)c(C)c1
Show InChI InChI=1S/C26H30N2O5/c1-18-7-12-23(19(2)14-18)27-24(29)17-28(16-22-6-5-13-32-22)15-20-8-10-21(11-9-20)33-26(3,4)25(30)31/h5-14H,15-17H2,1-4H3,(H,27,29)(H,30,31)
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n/an/an/an/a 300n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused mouse PPARgamma


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


(Mus musculus)
BDBM50229208
PNG
(CHEMBL427890 | N-(4-(2,2,2-trifluoroethylsulfonami...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(NS(=O)(=O)CC(F)(F)F)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H17F6N3O3S2/c1-12-17(34-19(29-12)14-4-6-15(7-5-14)21(25,26)27)18(31)28-10-13-2-8-16(9-3-13)30-35(32,33)11-20(22,23)24/h2-9,30H,10-11H2,1H3,(H,28,31)
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Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARgamma assessed as receptor activation by cell based assay


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


(Mus musculus)
BDBM50200404
PNG
((S)-2-(5-(3-((2-(4-ethylphenyl)-5-fluoropyrimidin-...)
Show SMILES CCc1ccc(cc1)-c1ncc(F)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C27H30FN3O3/c1-3-18-5-7-19(8-6-18)26-29-17-24(28)27(30-26)31(2)13-4-14-34-22-11-12-23-20(15-22)9-10-21(23)16-25(32)33/h5-8,11-12,15,17,21H,3-4,9-10,13-14,16H2,1-2H3,(H,32,33)/t21-/m0/s1
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n/an/an/an/a 360n/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma in mouse 3T3-L1 cells by IRBA


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


(Mus musculus)
BDBM50448024
PNG
(CHEMBL3115242)
Show SMILES CCCc1nn2ccc(cc2c1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1CCC
Show InChI InChI=1S/C34H32N4O2/c1-3-9-29-28(21-23-14-16-24(17-15-23)26-10-5-6-11-27(26)34(39)40)32-22-25(18-20-38(32)36-29)33-35-30-12-7-8-13-31(30)37(33)19-4-2/h5-8,10-18,20,22H,3-4,9,19,21H2,1-2H3,(H,39,40)
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n/an/an/an/a 380n/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARgamma expressed in CV-1 cells by reporter gene assay


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


(Mus musculus)
BDBM50081223
PNG
(2-(4-{2-[3-(2,4-Difluoro-phenyl)-1-heptyl-ureido]-...)
Show SMILES CCCCCCCN(CCc1ccc(OC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O4/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 400n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Compound was tested for its agonist activity against murine Peroxisome proliferator activated receptor gamma-Gal4 chimeric receptor in transfected CV...


J Med Chem 42: 3785-8 (1999)

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


(Mus musculus)
BDBM50200412
PNG
(2-((S)-5-(3-(5-(4-ethoxythiazol-2-yl)pyridin-2-ylo...)
Show SMILES CCOc1csc(n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)nc1
Show InChI InChI=1S/C24H26N2O5S/c1-2-29-22-15-32-24(26-22)18-6-9-21(25-14-18)31-11-3-10-30-19-7-8-20-16(12-19)4-5-17(20)13-23(27)28/h6-9,12,14-15,17H,2-5,10-11,13H2,1H3,(H,27,28)/t17-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma in mouse 3T3-L1 cells by IRBA


Citation and Details
More data for this
Ligand-Target Pair
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