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Compile Data Set for Download or QSAR

Found 11484 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor' AND taxid = 9606   
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
PPAR delta/gamma


(Homo sapiens)
BDBM33283
PNG
((3-{4-[(3-phenyl-7-propyl-1,2-benzisoxazol-6-yl)ox...)
Show SMILES CCCc1c(OCCCCOc2cccc(CC(O)=O)c2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C28H29NO5/c1-2-9-23-25(15-14-24-27(29-34-28(23)24)21-11-4-3-5-12-21)33-17-7-6-16-32-22-13-8-10-20(18-22)19-26(30)31/h3-5,8,10-15,18H,2,6-7,9,16-17,19H2,1H3,(H,30,31)
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PubMed
0.300n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor delta (PPAR delta)


Bioorg Med Chem Lett 13: 931-5 (2003)

More data for this
Ligand-Target Pair
RXR alpha/PPAR gamma


(Homo sapiens (human))
BDBM50287729
PNG
(3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...)
Show SMILES CN(CCOc1ccc(CC(Oc2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C25H24N2O5/c1-27(25-26-21-9-5-6-10-22(21)32-25)15-16-30-19-13-11-18(12-14-19)17-23(24(28)29)31-20-7-3-2-4-8-20/h2-14,23H,15-17H2,1H3,(H,28,29)
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Article
0.400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome Proliferator-Activated Receptor delta


(Homo sapiens)
BDBM29882
PNG
(alkynyl ether, 24)
Show SMILES OCCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C31H29F3O6S/c32-31(33,34)22-9-11-23(12-10-22)39-19-21-8-14-29(27(18-21)38-17-5-1-4-16-35)41-28-15-13-26(40-20-30(36)37)24-6-2-3-7-25(24)28/h8-15,18,35H,2-4,6-7,16-17,19-20H2,(H,36,37)
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0.600 -52.1n/an/a 2.00E+3n/an/a7.122



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Citation and Details
More data for this
Ligand-Target Pair
RXR alpha/PPAR gamma


(Homo sapiens (human))
BDBM50151001
PNG
((S)-2-((Z)-1-Methyl-3-oxo-3-phenyl-propenylamino)-...)
Show SMILES CC(CC(=O)c1ccccc1)=N[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C31H30N2O5/c1-21(19-29(34)24-9-5-3-6-10-24)32-28(31(35)36)20-23-13-15-26(16-14-23)37-18-17-27-22(2)38-30(33-27)25-11-7-4-8-12-25/h3-16,28H,17-20H2,1-2H3,(H,35,36)/t28-/m0/s1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for human peroxisome proliferator activated receptor gamma


Citation and Details
More data for this
Ligand-Target Pair
RXR alpha/PPAR gamma


(Homo sapiens (human))
BDBM50085044
PNG
((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RXR alpha/PPAR gamma


(Homo sapiens (human))
BDBM50085044
PNG
((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human Peroxisome proliferator activated receptor gamma using scintillation proximity assay


Bioorg Med Chem Lett 11: 3111-3 (2001)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RXR alpha/PPAR gamma


(Homo sapiens (human))
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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1.40n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Tested for its ability to bind to Peroxisome proliferator activated receptor gamma using [3H]-BRL 49653 as radioligand in scintillation proximity ass...


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
RXR alpha/PPAR gamma


(Homo sapiens (human))
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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1.40n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
RXR alpha/PPAR gamma


(Homo sapiens (human))
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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1.5n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
PPAR delta/gamma


(Homo sapiens)
BDBM50124377
PNG
(3-{4-[3-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-ylox...)
Show SMILES CCCc1c(OCCCOc2ccc(CCC(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C28H29NO5/c1-2-7-23-25(16-15-24-27(29-34-28(23)24)21-8-4-3-5-9-21)33-19-6-18-32-22-13-10-20(11-14-22)12-17-26(30)31/h3-5,8-11,13-16H,2,6-7,12,17-19H2,1H3,(H,30,31)
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor delta (PPAR delta)


Bioorg Med Chem Lett 13: 931-5 (2003)

More data for this
Ligand-Target Pair
Peroxisome Proliferator-Activated Receptor delta


(Homo sapiens)
BDBM29881
PNG
(alkynyl ether, 23)
Show SMILES OCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C30H27F3O6S/c31-30(32,33)21-8-10-22(11-9-21)38-18-20-7-13-28(26(17-20)37-16-4-3-15-34)40-27-14-12-25(39-19-29(35)36)23-5-1-2-6-24(23)27/h7-14,17,34H,1-2,5-6,15-16,18-19H2,(H,35,36)
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2 -49.2n/an/a 220n/an/a7.122



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Citation and Details
More data for this
Ligand-Target Pair
PPAR alpha/gamma


(Homo sapiens)
BDBM50151001
PNG
((S)-2-((Z)-1-Methyl-3-oxo-3-phenyl-propenylamino)-...)
Show SMILES CC(CC(=O)c1ccccc1)=N[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C31H30N2O5/c1-21(19-29(34)24-9-5-3-6-10-24)32-28(31(35)36)20-23-13-15-26(16-14-23)37-18-17-27-22(2)38-30(33-27)25-11-7-4-8-12-25/h3-16,28H,17-20H2,1-2H3,(H,35,36)/t28-/m0/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for human peroxisome proliferator activated receptor alpha


Citation and Details
More data for this
Ligand-Target Pair
RXR alpha/PPAR gamma


(Homo sapiens (human))
BDBM50124394
PNG
(2-Methyl-2-{4-[4-(3-phenyl-7-propyl-benzo[d]isoxaz...)
Show SMILES CCCc1c(OCCCCOc2ccc(OC(C)(C)C(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C30H33NO6/c1-4-10-24-26(18-17-25-27(31-37-28(24)25)21-11-6-5-7-12-21)35-20-9-8-19-34-22-13-15-23(16-14-22)36-30(2,3)29(32)33/h5-7,11-18H,4,8-10,19-20H2,1-3H3,(H,32,33)
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2.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor gamma (PPAR gamma)


Bioorg Med Chem Lett 13: 931-5 (2003)

More data for this
Ligand-Target Pair
RXR alpha/PPAR gamma


(Homo sapiens (human))
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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2.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Citation and Details
More data for this
Ligand-Target Pair
RXR alpha/PPAR gamma


(Homo sapiens (human))
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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2.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Citation and Details
More data for this
Ligand-Target Pair
PPAR alpha/gamma


(Homo sapiens)
BDBM50124379
PNG
(2-(4-(3-(3-phenyl-7-propylbenzo[d]isoxazol-6-yloxy...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C27H27NO5/c1-2-7-22-24(15-14-23-26(28-33-27(22)23)20-8-4-3-5-9-20)32-17-6-16-31-21-12-10-19(11-13-21)18-25(29)30/h3-5,8-15H,2,6-7,16-18H2,1H3,(H,29,30)
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3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


Bioorg Med Chem Lett 13: 931-5 (2003)

More data for this
Ligand-Target Pair
RXR alpha/PPAR gamma


(Homo sapiens (human))
BDBM50145710
PNG
(2-Methyl-3-{4-[2-(5-methyl-2-thiophen-2-yl-oxazol-...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC(C)(Oc2ccccc2)C(O)=O)cc1)-c1cccs1
Show InChI InChI=1S/C26H25NO5S/c1-18-22(27-24(31-18)23-9-6-16-33-23)14-15-30-20-12-10-19(11-13-20)17-26(2,25(28)29)32-21-7-4-3-5-8-21/h3-13,16H,14-15,17H2,1-2H3,(H,28,29)
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3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for human peroxisome proliferator activated receptor gamma


Citation and Details
More data for this
Ligand-Target Pair
RXR alpha/PPAR gamma


(Homo sapiens (human))
BDBM33283
PNG
((3-{4-[(3-phenyl-7-propyl-1,2-benzisoxazol-6-yl)ox...)
Show SMILES CCCc1c(OCCCCOc2cccc(CC(O)=O)c2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C28H29NO5/c1-2-9-23-25(15-14-24-27(29-34-28(23)24)21-11-4-3-5-12-21)33-17-7-6-16-32-22-13-8-10-20(18-22)19-26(30)31/h3-5,8,10-15,18H,2,6-7,9,16-17,19H2,1H3,(H,30,31)
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3.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor gamma (PPAR gamma)


Bioorg Med Chem Lett 13: 931-5 (2003)

More data for this
Ligand-Target Pair
RXR alpha/PPAR gamma


(Homo sapiens (human))
BDBM50418568
PNG
(CHEMBL146822)
Show SMILES CN(CCOc1ccc(CC(Nc2ccccc2C(=O)Cc2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C33H31N3O5/c1-36(33-35-28-13-7-8-14-31(28)41-33)19-20-40-25-17-15-24(16-18-25)21-29(32(38)39)34-27-12-6-5-11-26(27)30(37)22-23-9-3-2-4-10-23/h2-18,29,34H,19-22H2,1H3,(H,38,39)
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3.30n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
RXR alpha/PPAR gamma


(Homo sapiens (human))
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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3.70n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human Peroxisome proliferator activated receptor gamma using scintillation proximity assay


Bioorg Med Chem Lett 11: 3111-3 (2001)

More data for this
Ligand-Target Pair
PPAR delta/gamma


(Homo sapiens)
BDBM50124384
PNG
(CHEMBL173494 | {4-[3-(3-Phenyl-7-propyl-benzo[d]is...)
Show SMILES CCCc1c(OCCCOc2ccc(OCC(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C27H27NO6/c1-2-7-22-24(15-14-23-26(28-34-27(22)23)19-8-4-3-5-9-19)32-17-6-16-31-20-10-12-21(13-11-20)33-18-25(29)30/h3-5,8-15H,2,6-7,16-18H2,1H3,(H,29,30)
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3.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor delta (PPAR delta)


Bioorg Med Chem Lett 13: 931-5 (2003)

More data for this
Ligand-Target Pair
RXR alpha/PPAR gamma


(Homo sapiens (human))
BDBM50000012
PNG
(CHEMBL147826)
Show SMILES CN(CCOc1ccc(CC(Nc2ccccc2Oc2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C31H29N3O5/c1-34(31-33-26-12-6-8-14-29(26)39-31)19-20-37-23-17-15-22(16-18-23)21-27(30(35)36)32-25-11-5-7-13-28(25)38-24-9-3-2-4-10-24/h2-18,27,32H,19-21H2,1H3,(H,35,36)
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3.70n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
PPAR delta/gamma


(Homo sapiens)
BDBM50124369
PNG
(CHEMBL367019 | {3-Chloro-4-[3-(3-phenyl-7-propyl-b...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C27H26ClNO4S/c1-2-7-20-23(12-11-21-26(29-33-27(20)21)19-8-4-3-5-9-19)32-14-6-15-34-24-13-10-18(16-22(24)28)17-25(30)31/h3-5,8-13,16H,2,6-7,14-15,17H2,1H3,(H,30,31)
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3.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor delta (PPAR delta)


Bioorg Med Chem Lett 13: 931-5 (2003)

More data for this
Ligand-Target Pair
Peroxisome Proliferator-Activated Receptor delta


(Homo sapiens)
BDBM29868
PNG
(alkynyl ether, 10)
Show SMILES Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#C)ccc1OCC(O)=O
Show InChI InChI=1S/C27H23F3O5S/c1-4-13-33-23-14-19(15-34-21-8-6-20(7-9-21)27(28,29)30)5-11-25(23)36-24-12-10-22(17(2)18(24)3)35-16-26(31)32/h1,5-12,14H,13,15-16H2,2-3H3,(H,31,32)
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4 -47.5n/an/a 54n/an/a7.122



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome Proliferator-Activated Receptor delta


(Homo sapiens)
BDBM29885
PNG
(alkynyl ether, 27)
Show SMILES COCCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C32H31F3O6S/c1-38-17-5-2-6-18-39-28-19-22(20-40-24-12-10-23(11-13-24)32(33,34)35)9-15-30(28)42-29-16-14-27(41-21-31(36)37)25-7-3-4-8-26(25)29/h9-16,19H,3-5,7-8,17-18,20-21H2,1H3,(H,36,37)
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4 -47.5n/an/a 470n/an/a7.122



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Citation and Details
More data for this
Ligand-Target Pair
PPAR alpha/gamma


(Homo sapiens)
BDBM50145710
PNG
(2-Methyl-3-{4-[2-(5-methyl-2-thiophen-2-yl-oxazol-...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC(C)(Oc2ccccc2)C(O)=O)cc1)-c1cccs1
Show InChI InChI=1S/C26H25NO5S/c1-18-22(27-24(31-18)23-9-6-16-33-23)14-15-30-20-12-10-19(11-13-20)17-26(2,25(28)29)32-21-7-4-3-5-8-21/h3-13,16H,14-15,17H2,1-2H3,(H,28,29)
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for human peroxisome proliferator activated receptor alpha


Citation and Details
More data for this
Ligand-Target Pair
RXR alpha/PPAR gamma


(Homo sapiens (human))
BDBM50064451
PNG
(5-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-be...)
Show SMILES Cc1oc(nc1CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)-c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c1-14-18(23-21(28-14)16-5-3-2-4-6-16)11-12-27-17-9-7-15(8-10-17)13-19-20(25)24-22(26)29-19/h2-10,25H,11-13H2,1H3,(H,24,26)
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4.30n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
PPAR delta/gamma


(Homo sapiens)
BDBM50124378
PNG
(2-{4-[3-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-ylox...)
Show SMILES CCCc1c(OCCCOc2ccc(OC(C)C(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C28H29NO6/c1-3-8-23-25(16-15-24-26(29-35-27(23)24)20-9-5-4-6-10-20)33-18-7-17-32-21-11-13-22(14-12-21)34-19(2)28(30)31/h4-6,9-16,19H,3,7-8,17-18H2,1-2H3,(H,30,31)
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4.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor delta (PPAR delta)


Bioorg Med Chem Lett 13: 931-5 (2003)

More data for this
Ligand-Target Pair
RXR alpha/PPAR gamma


(Homo sapiens (human))
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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4.70n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Tested for its ability to bind to Peroxisome proliferator activated receptor gamma using [3H]-BRL 49653 as radioligand in scintillation proximity ass...


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Peroxisome Proliferator-Activated Receptor delta


(Homo sapiens)
BDBM29879
PNG
(alkynyl ether, 21)
Show SMILES CCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C31H29F3O5S/c1-2-3-6-17-37-27-18-21(19-38-23-12-10-22(11-13-23)31(32,33)34)9-15-29(27)40-28-16-14-26(39-20-30(35)36)24-7-4-5-8-25(24)28/h9-16,18H,2,4-5,7-8,17,19-20H2,1H3,(H,35,36)
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5 -46.9n/an/a 44n/an/a7.122



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Citation and Details
More data for this
Ligand-Target Pair
PPAR delta/gamma


(Homo sapiens)
BDBM50124379
PNG
(2-(4-(3-(3-phenyl-7-propylbenzo[d]isoxazol-6-yloxy...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C27H27NO5/c1-2-7-22-24(15-14-23-26(28-33-27(22)23)20-8-4-3-5-9-20)32-17-6-16-31-21-12-10-19(11-13-21)18-25(29)30/h3-5,8-15H,2,6-7,16-18H2,1H3,(H,29,30)
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5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor delta (PPAR delta)


Bioorg Med Chem Lett 13: 931-5 (2003)

More data for this
Ligand-Target Pair
RXR alpha/PPAR gamma


(Homo sapiens (human))
BDBM50418575
PNG
(CHEMBL358137)
Show SMILES CN(CCOc1ccc(CC(Nc2cccc3C(=O)c4ccccc4C(=O)c23)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C33H27N3O6/c1-36(33-35-25-10-4-5-12-28(25)42-33)17-18-41-21-15-13-20(14-16-21)19-27(32(39)40)34-26-11-6-9-24-29(26)31(38)23-8-3-2-7-22(23)30(24)37/h2-16,27,34H,17-19H2,1H3,(H,39,40)
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5.10n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
RXR alpha/PPAR gamma


(Homo sapiens (human))
BDBM50418563
PNG
(CHEMBL148301)
Show SMILES Cc1c(C)c2OC(C)(COc3ccc(C[C@H](Nc4ccccc4C(=O)c4ccccc4)C(O)=O)cc3)CCc2c(C)c1O
Show InChI InChI=1S/C36H37NO6/c1-22-23(2)34-28(24(3)32(22)38)18-19-36(4,43-34)21-42-27-16-14-25(15-17-27)20-31(35(40)41)37-30-13-9-8-12-29(30)33(39)26-10-6-5-7-11-26/h5-17,31,37-38H,18-21H2,1-4H3,(H,40,41)/t31-,36?/m0/s1
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5.20n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
PPAR alpha/gamma


(Homo sapiens)
BDBM50124385
PNG
(3-[4-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-yloxy)-...)
Show SMILES CCCc1c(OCCCCOc2cccc(c2)C(O)=O)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C27H27NO5/c1-2-9-22-24(15-14-23-25(28-33-26(22)23)19-10-4-3-5-11-19)32-17-7-6-16-31-21-13-8-12-20(18-21)27(29)30/h3-5,8,10-15,18H,2,6-7,9,16-17H2,1H3,(H,29,30)
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5.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


Bioorg Med Chem Lett 13: 931-5 (2003)

More data for this
Ligand-Target Pair
Peroxisome Proliferator-Activated Receptor delta


(Homo sapiens)
BDBM29883
PNG
(alkynyl ether, 25)
Show SMILES C[C@H](O)C#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C31H29F3O6S/c1-20(35)5-4-16-38-27-17-21(18-39-23-11-9-22(10-12-23)31(32,33)34)8-14-29(27)41-28-15-13-26(40-19-30(36)37)24-6-2-3-7-25(24)28/h8-15,17,20,35H,2-3,6-7,16,18-19H2,1H3,(H,36,37)/t20-/m0/s1
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6 -46.5n/an/a 1.20E+3n/an/a7.122



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome Proliferator-Activated Receptor delta


(Homo sapiens)
BDBM29878
PNG
(alkynyl ether, 20)
Show SMILES CC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C30H27F3O5S/c1-2-3-16-36-26-17-20(18-37-22-11-9-21(10-12-22)30(31,32)33)8-14-28(26)39-27-15-13-25(38-19-29(34)35)23-6-4-5-7-24(23)27/h8-15,17H,4-7,16,18-19H2,1H3,(H,34,35)
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6 -46.5n/an/a 43n/an/a7.122



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Citation and Details
More data for this
Ligand-Target Pair
RXR alpha/PPAR gamma


(Homo sapiens (human))
BDBM50194976
PNG
((S)-2-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@]2(CCCO2)C(O)=O)cn1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O5/c1-16-19(25-21(30-16)18-6-3-2-4-7-18)10-13-28-20-9-8-17(15-24-20)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)/t23-/m0/s1
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6n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Citation and Details
More data for this
Ligand-Target Pair
RXR alpha/PPAR gamma


(Homo sapiens (human))
BDBM50418571
PNG
(CHEMBL346219)
Show SMILES CCc1ccc(CCOc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(O)=O)cc2)nc1
Show InChI InChI=1S/C31H30N2O4/c1-2-22-12-15-25(32-21-22)18-19-37-26-16-13-23(14-17-26)20-29(31(35)36)33-28-11-7-6-10-27(28)30(34)24-8-4-3-5-9-24/h3-17,21,29,33H,2,18-20H2,1H3,(H,35,36)/t29-/m0/s1
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6.5n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
RXR alpha/PPAR gamma


(Homo sapiens (human))
BDBM34017
PNG
(CHEMBL104850 | phenylpropanoic acid derivative, 7)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C25H24N2O4/c1-18-22(26-24(31-18)20-7-3-2-4-8-20)13-16-30-21-11-9-19(10-12-21)17-23(25(28)29)27-14-5-6-15-27/h2-12,14-15,23H,13,16-17H2,1H3,(H,28,29)/t23-/m0/s1
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6.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human Peroxisome proliferator activated receptor gamma using scintillation proximity assay


Bioorg Med Chem Lett 11: 3111-3 (2001)

More data for this
Ligand-Target Pair
PPAR alpha/gamma


(Homo sapiens)
BDBM50124386
PNG
(CHEMBL367311 | {4-[4-(3-Phenyl-7-propyl-benzo[d]is...)
Show SMILES CCCc1c(OCCCCOc2ccc(CC(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C28H29NO5/c1-2-8-23-25(16-15-24-27(29-34-28(23)24)21-9-4-3-5-10-21)33-18-7-6-17-32-22-13-11-20(12-14-22)19-26(30)31/h3-5,9-16H,2,6-8,17-19H2,1H3,(H,30,31)
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7n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


Bioorg Med Chem Lett 13: 931-5 (2003)

More data for this
Ligand-Target Pair
Peroxisome Proliferator-Activated Receptor delta


(Homo sapiens)
BDBM29877
PNG
(alkynyl ether, 19)
Show SMILES OC(=O)COc1ccc(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#C)c2CCCCc12
Show InChI InChI=1S/C29H25F3O5S/c1-2-15-35-25-16-19(17-36-21-10-8-20(9-11-21)29(30,31)32)7-13-27(25)38-26-14-12-24(37-18-28(33)34)22-5-3-4-6-23(22)26/h1,7-14,16H,3-6,15,17-18H2,(H,33,34)
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7 -46.1n/an/a 52n/an/a7.122



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Citation and Details
More data for this
Ligand-Target Pair
RXR alpha/PPAR gamma


(Homo sapiens (human))
BDBM50194957
PNG
(2-((6-(2-(2-(3-methoxyphenyl)-5-methyloxazol-4-yl)...)
Show SMILES COc1cccc(c1)-c1nc(CCOc2ccc(CC3(CCCO3)C(O)=O)cn2)c(C)o1
Show InChI InChI=1S/C24H26N2O6/c1-16-20(26-22(32-16)18-5-3-6-19(13-18)29-2)9-12-30-21-8-7-17(15-25-21)14-24(23(27)28)10-4-11-31-24/h3,5-8,13,15H,4,9-12,14H2,1-2H3,(H,27,28)
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7n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Citation and Details
More data for this
Ligand-Target Pair
PPAR alpha/gamma


(Homo sapiens)
BDBM33283
PNG
((3-{4-[(3-phenyl-7-propyl-1,2-benzisoxazol-6-yl)ox...)
Show SMILES CCCc1c(OCCCCOc2cccc(CC(O)=O)c2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C28H29NO5/c1-2-9-23-25(15-14-24-27(29-34-28(23)24)21-11-4-3-5-12-21)33-17-7-6-16-32-22-13-8-10-20(18-22)19-26(30)31/h3-5,8,10-15,18H,2,6-7,9,16-17,19H2,1H3,(H,30,31)
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7.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


Bioorg Med Chem Lett 13: 931-5 (2003)

More data for this
Ligand-Target Pair
PPAR alpha/gamma


(Homo sapiens)
BDBM50124377
PNG
(3-{4-[3-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-ylox...)
Show SMILES CCCc1c(OCCCOc2ccc(CCC(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C28H29NO5/c1-2-7-23-25(16-15-24-27(29-34-28(23)24)21-8-4-3-5-9-21)33-19-6-18-32-22-13-10-20(11-14-22)12-17-26(30)31/h3-5,8-11,13-16H,2,6-7,12,17-19H2,1H3,(H,30,31)
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7.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


Bioorg Med Chem Lett 13: 931-5 (2003)

More data for this
Ligand-Target Pair
PPAR alpha/gamma


(Homo sapiens)
BDBM50124374
PNG
(3-{4-[4-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-ylox...)
Show SMILES CCCc1c(OCCCCOc2ccc(CCC(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C29H31NO5/c1-2-8-24-26(17-16-25-28(30-35-29(24)25)22-9-4-3-5-10-22)34-20-7-6-19-33-23-14-11-21(12-15-23)13-18-27(31)32/h3-5,9-12,14-17H,2,6-8,13,18-20H2,1H3,(H,31,32)
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7.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


Bioorg Med Chem Lett 13: 931-5 (2003)

More data for this
Ligand-Target Pair
Peroxisome Proliferator-Activated Receptor delta


(Homo sapiens)
BDBM29867
PNG
(phenoxyacetic acid-ether, 9)
Show SMILES COCCCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c(C)c1C
Show InChI InChI=1S/C28H29F3O6S/c1-18-19(2)25(12-10-23(18)37-17-27(32)33)38-26-11-5-20(15-24(26)35-14-4-13-34-3)16-36-22-8-6-21(7-9-22)28(29,30)31/h5-12,15H,4,13-14,16-17H2,1-3H3,(H,32,33)
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8 -45.7n/an/a 1.90E+3n/an/a7.122



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Citation and Details
More data for this
Ligand-Target Pair
RXR alpha/PPAR gamma


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



SPOT-EA3857

Curated by ChEMBL


Assay Description
Displacement of [3H]Rosiglitazone from human PPARgamma


Citation and Details
More data for this
Ligand-Target Pair
RXR alpha/PPAR gamma


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



CNRS UMR 6052

Curated by ChEMBL


Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone


Citation and Details
More data for this
Ligand-Target Pair
PPAR alpha/gamma


(Homo sapiens)
BDBM50124384
PNG
(CHEMBL173494 | {4-[3-(3-Phenyl-7-propyl-benzo[d]is...)
Show SMILES CCCc1c(OCCCOc2ccc(OCC(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C27H27NO6/c1-2-7-22-24(15-14-23-26(28-34-27(22)23)19-8-4-3-5-9-19)32-17-6-16-31-20-10-12-21(13-11-20)33-18-25(29)30/h3-5,8-15H,2,6-7,16-18H2,1H3,(H,29,30)
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8.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


Bioorg Med Chem Lett 13: 931-5 (2003)

More data for this
Ligand-Target Pair
RXR alpha/PPAR gamma


(Homo sapiens (human))
BDBM50124374
PNG
(3-{4-[4-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-ylox...)
Show SMILES CCCc1c(OCCCCOc2ccc(CCC(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C29H31NO5/c1-2-8-24-26(17-16-25-28(30-35-29(24)25)22-9-4-3-5-10-22)34-20-7-6-19-33-23-14-11-21(12-15-23)13-18-27(31)32/h3-5,9-12,14-17H,2,6-8,13,18-20H2,1H3,(H,31,32)
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8.90n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor gamma (PPAR gamma)


Bioorg Med Chem Lett 13: 931-5 (2003)

More data for this
Ligand-Target Pair
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