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Compile Data Set for Download or QSAR

Found 101 hits with Last Name = 'mosset' and Initial = 'p'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50592423
PNG
(CHEMBL4434865)
Show SMILES C(N1CCC(CC1)n1cc(Cc2ccccc2)nn1)c1ccccc1
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1.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116851
BindingDB Entry DOI: 10.7270/Q2CR5ZC1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50592424
PNG
(CHEMBL4567314)
Show SMILES Brc1ccc(Cc2cn(nn2)C2CCN(Cc3ccccc3)CC2)cc1
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1.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116851
BindingDB Entry DOI: 10.7270/Q2CR5ZC1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50592426
PNG
(CHEMBL4547253)
Show SMILES Fc1ccc(CN2CCC(CC2)n2cc(Cc3ccc(Br)cc3)nn2)cc1
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2n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116851
BindingDB Entry DOI: 10.7270/Q2CR5ZC1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50592427
PNG
(CHEMBL4444356)
Show SMILES Nc1ccc(CN2CCC(CC2)n2cc(Cc3ccc(Br)cc3)nn2)cc1
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3.30n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116851
BindingDB Entry DOI: 10.7270/Q2CR5ZC1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50064947
PNG
(CHEMBL76895 | N-(1-Benzyl-piperidin-4-yl)-2-phenyl...)
Show SMILES O=C(Cc1ccccc1)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24N2O/c23-20(15-17-7-3-1-4-8-17)21-19-11-13-22(14-12-19)16-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,21,23)
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3.90n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116851
BindingDB Entry DOI: 10.7270/Q2CR5ZC1
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50592424
PNG
(CHEMBL4567314)
Show SMILES Brc1ccc(Cc2cn(nn2)C2CCN(Cc3ccccc3)CC2)cc1
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6n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116851
BindingDB Entry DOI: 10.7270/Q2CR5ZC1
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50592426
PNG
(CHEMBL4547253)
Show SMILES Fc1ccc(CN2CCC(CC2)n2cc(Cc3ccc(Br)cc3)nn2)cc1
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6n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116851
BindingDB Entry DOI: 10.7270/Q2CR5ZC1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50030474
PNG
(Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)
Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)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/h2-9,15H,10-12H2,1H3,(H,20,22,23)
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8 -43.0n/an/an/an/an/a8.24



Université de Rennes 1



Assay Description
Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...


J Enzyme Inhib Med Chem 25: 653-72 (2010)


Article DOI: 10.3109/14756360903468171
BindingDB Entry DOI: 10.7270/Q2HT2N6V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor 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


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50059227
PNG
(1-Benzyl-4-(5-phenyl-1H-pyrazol-3-yl)-piperidine |...)
Show SMILES C(N1CCC(CC1)c1cc(n[nH]1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H23N3/c1-3-7-17(8-4-1)16-24-13-11-19(12-14-24)21-15-20(22-23-21)18-9-5-2-6-10-18/h1-10,15,19H,11-14,16H2,(H,22,23)
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11n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116851
BindingDB Entry DOI: 10.7270/Q2CR5ZC1
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50592425
PNG
(CHEMBL4435399)
Show SMILES [O-][N+](=O)c1ccc(CN2CCC(CC2)n2cc(Cc3ccc(Br)cc3)nn2)cc1
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11n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116851
BindingDB Entry DOI: 10.7270/Q2CR5ZC1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50592425
PNG
(CHEMBL4435399)
Show SMILES [O-][N+](=O)c1ccc(CN2CCC(CC2)n2cc(Cc3ccc(Br)cc3)nn2)cc1
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12n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116851
BindingDB Entry DOI: 10.7270/Q2CR5ZC1
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50592427
PNG
(CHEMBL4444356)
Show SMILES Nc1ccc(CN2CCC(CC2)n2cc(Cc3ccc(Br)cc3)nn2)cc1
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144n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116851
BindingDB Entry DOI: 10.7270/Q2CR5ZC1
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50592423
PNG
(CHEMBL4434865)
Show SMILES C(N1CCC(CC1)n1cc(Cc2ccccc2)nn1)c1ccccc1
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260n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116851
BindingDB Entry DOI: 10.7270/Q2CR5ZC1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM233176
PNG
(Sodium 8-hydroxy-8-(2-octyloxy-quinolin-3-yl)-oct-...)
Show SMILES CCCCCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC([O-])=O
Show InChI InChI=1S/C25H33NO4/c1-2-3-4-5-8-13-18-30-25-21(19-20-14-11-12-15-22(20)26-25)23(27)16-9-6-7-10-17-24(28)29/h11-12,14-15,19,23,27H,2-5,7-8,10,13,16-18H2,1H3,(H,28,29)/p-1
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378 -34.1n/an/an/an/an/a8.24



Université de Rennes 1



Assay Description
Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...


J Enzyme Inhib Med Chem 25: 653-72 (2010)


Article DOI: 10.3109/14756360903468171
BindingDB Entry DOI: 10.7270/Q2HT2N6V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50172823
PNG
(8-Hydroxy-8-(2-pentyloxy-phenyl)-octanoic acid met...)
Show SMILES CCCCCOc1ccccc1C(O)CCCCCCC(=O)OC
Show InChI InChI=1S/C20H32O4/c1-3-4-11-16-24-19-14-10-9-12-17(19)18(21)13-7-5-6-8-15-20(22)23-2/h9-10,12,14,18,21H,3-8,11,13,15-16H2,1-2H3
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515n/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


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50172805
PNG
(9-Hydroxy-9-(3-pentyloxy-naphthalen-2-yl)-nonanoic...)
Show SMILES CCCCCOc1cc2ccccc2cc1C(O)CCCCCCCC(=O)OC
Show InChI InChI=1S/C25H36O4/c1-3-4-12-17-29-24-19-21-14-11-10-13-20(21)18-22(24)23(26)15-8-6-5-7-9-16-25(27)28-2/h10-11,13-14,18-19,23,26H,3-9,12,15-17H2,1-2H3
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579n/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


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM233183
PNG
(Sodium 8-hydroxy-8-(6-methoxy-2-pentyloxy-quinolin...)
Show SMILES CCCCCOc1nc2ccc(OC)cc2cc1C(O)CC#CCCCC([O-])=O
Show InChI InChI=1S/C23H29NO5/c1-3-4-9-14-29-23-19(21(25)10-7-5-6-8-11-22(26)27)16-17-15-18(28-2)12-13-20(17)24-23/h12-13,15-16,21,25H,3-4,6,8-11,14H2,1-2H3,(H,26,27)/p-1
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583 -33.1n/an/an/an/an/a8.24



Université de Rennes 1



Assay Description
Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...


J Enzyme Inhib Med Chem 25: 653-72 (2010)


Article DOI: 10.3109/14756360903468171
BindingDB Entry DOI: 10.7270/Q2HT2N6V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50172816
PNG
(8-Hydroxy-8-(3-pentyloxy-naphthalen-2-yl)-oct-5-yn...)
Show SMILES CCCCCOc1cc2ccccc2cc1C(O)CC#CCCCC(=O)OC
Show InChI InChI=1S/C24H30O4/c1-3-4-11-16-28-23-18-20-13-10-9-12-19(20)17-21(23)22(25)14-7-5-6-8-15-24(26)27-2/h9-10,12-13,17-18,22,25H,3-4,6,8,11,14-16H2,1-2H3
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695n/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


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50172806
PNG
((E)-8-Hydroxy-8-(3-pentyloxy-naphthalen-2-yl)-oct-...)
Show SMILES CCCCCOc1cc2ccccc2cc1C(O)C\C=C\CCCC(=O)OC
Show InChI InChI=1S/C24H32O4/c1-3-4-11-16-28-23-18-20-13-10-9-12-19(20)17-21(23)22(25)14-7-5-6-8-15-24(26)27-2/h5,7,9-10,12-13,17-18,22,25H,3-4,6,8,11,14-16H2,1-2H3/b7-5+
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718n/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


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50172802
PNG
(CHEMBL383607 | Sodium 8-hydroxy-8-(2-pentyloxy-qui...)
Show SMILES CCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC([O-])=O
Show InChI InChI=1S/C22H27NO4/c1-2-3-10-15-27-22-18(16-17-11-8-9-12-19(17)23-22)20(24)13-6-4-5-7-14-21(25)26/h8-9,11-12,16,20,24H,2-3,5,7,10,13-15H2,1H3,(H,25,26)/p-1
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947n/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


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50172802
PNG
(CHEMBL383607 | Sodium 8-hydroxy-8-(2-pentyloxy-qui...)
Show SMILES CCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC([O-])=O
Show InChI InChI=1S/C22H27NO4/c1-2-3-10-15-27-22-18(16-17-11-8-9-12-19(17)23-22)20(24)13-6-4-5-7-14-21(25)26/h8-9,11-12,16,20,24H,2-3,5,7,10,13-15H2,1H3,(H,25,26)/p-1
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947 -32.0n/an/an/an/an/a8.24



Université de Rennes 1



Assay Description
Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...


J Enzyme Inhib Med Chem 25: 653-72 (2010)


Article DOI: 10.3109/14756360903468171
BindingDB Entry DOI: 10.7270/Q2HT2N6V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50172810
PNG
(CHEMBL199121 | Sodium; 8-hydroxy-8-(3-pentyloxy-na...)
Show SMILES CCCCCOc1cc2ccccc2cc1C(O)CCCCCCC([O-])=O
Show InChI InChI=1S/C23H32O4/c1-2-3-10-15-27-22-17-19-12-9-8-11-18(19)16-20(22)21(24)13-6-4-5-7-14-23(25)26/h8-9,11-12,16-17,21,24H,2-7,10,13-15H2,1H3,(H,25,26)/p-1
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969n/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


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50172817
PNG
(8-Hydroxy-8-(2-pentyloxy-phenyl)-oct-5-ynoic acid ...)
Show SMILES CCCCCOc1ccccc1C(O)CC#CCCCC(=O)OC
Show InChI InChI=1S/C20H28O4/c1-3-4-11-16-24-19-14-10-9-12-17(19)18(21)13-7-5-6-8-15-20(22)23-2/h9-10,12,14,18,21H,3-4,6,8,11,13,15-16H2,1-2H3
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1.05E+3n/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


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM233180
PNG
(Sodium [5-hydroxy-5-(2-pentyloxy-quinolin-3-yl)-pe...)
Show SMILES CCCCCOc1nc2ccccc2cc1C(O)CC#CCOCC([O-])=O
Show InChI InChI=1S/C21H25NO5/c1-2-3-7-13-27-21-17(14-16-9-4-5-10-18(16)22-21)19(23)11-6-8-12-26-15-20(24)25/h4-5,9-10,14,19,23H,2-3,7,11-13,15H2,1H3,(H,24,25)/p-1
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1.93E+3 -30.3n/an/an/an/an/a8.24



Université de Rennes 1



Assay Description
Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...


J Enzyme Inhib Med Chem 25: 653-72 (2010)


Article DOI: 10.3109/14756360903468171
BindingDB Entry DOI: 10.7270/Q2HT2N6V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM233181
PNG
(Sodium [5-hydroxy-5-(2-methoxy-quinolin-3-yl)-pent...)
Show SMILES COc1nc2ccccc2cc1C(O)CC#CCOCC([O-])=O
Show InChI InChI=1S/C17H17NO5/c1-22-17-13(10-12-6-2-3-7-14(12)18-17)15(19)8-4-5-9-23-11-16(20)21/h2-3,6-7,10,15,19H,8-9,11H2,1H3,(H,20,21)/p-1
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3.81E+3 -28.8n/an/an/an/an/a8.24



Université de Rennes 1



Assay Description
Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...


J Enzyme Inhib Med Chem 25: 653-72 (2010)


Article DOI: 10.3109/14756360903468171
BindingDB Entry DOI: 10.7270/Q2HT2N6V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50172822
PNG
(CHEMBL198163 | Sodium; 8-hydroxy-8-(3-pentyloxy-na...)
Show SMILES CCCCCOc1cc2ccccc2cc1C(O)CC#CCCCC([O-])=O
Show InChI InChI=1S/C23H28O4/c1-2-3-10-15-27-22-17-19-12-9-8-11-18(19)16-20(22)21(24)13-6-4-5-7-14-23(25)26/h8-9,11-12,16-17,21,24H,2-3,5,7,10,13-15H2,1H3,(H,25,26)/p-1
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4.39E+3n/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


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50592423
PNG
(CHEMBL4434865)
Show SMILES C(N1CCC(CC1)n1cc(Cc2ccccc2)nn1)c1ccccc1
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4.60E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116851
BindingDB Entry DOI: 10.7270/Q2CR5ZC1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50592423
PNG
(CHEMBL4434865)
Show SMILES C(N1CCC(CC1)n1cc(Cc2ccccc2)nn1)c1ccccc1
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6.30E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116851
BindingDB Entry DOI: 10.7270/Q2CR5ZC1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50172818
PNG
(CHEMBL196261 | Sodium; 8-hydroxy-8-(2-pentyloxy-ph...)
Show SMILES CCCCCOc1ccccc1C(O)CCCCCCC([O-])=O
Show InChI InChI=1S/C19H30O4/c1-2-3-10-15-23-18-13-9-8-11-16(18)17(20)12-6-4-5-7-14-19(21)22/h8-9,11,13,17,20H,2-7,10,12,14-15H2,1H3,(H,21,22)/p-1
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6.69E+3n/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


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM233173
PNG
(8-Hydroxy-8-[2-(3-methoxy-propoxy)-quinolin-3-yl]-...)
Show SMILES COCCCOc1nc2ccccc2cc1C(O)CC#CCCCC(=O)OC
Show InChI InChI=1S/C22H27NO5/c1-26-14-9-15-28-22-18(16-17-10-7-8-11-19(17)23-22)20(24)12-5-3-4-6-13-21(25)27-2/h7-8,10-11,16,20,24H,4,6,9,12-15H2,1-2H3
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>1.00E+4>-26.5n/an/an/an/an/a8.24



Université de Rennes 1



Assay Description
Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...


J Enzyme Inhib Med Chem 25: 653-72 (2010)


Article DOI: 10.3109/14756360903468171
BindingDB Entry DOI: 10.7270/Q2HT2N6V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM233174
PNG
(8-Hydroxy-8-[2-(4,4,4-trifluoro-butoxy)-quinolin-3...)
Show SMILES COC(=O)CCCC#CCC(O)c1cc2ccccc2nc1OCCCC(F)(F)F
Show InChI InChI=1S/C22H24F3NO4/c1-29-20(28)12-5-3-2-4-11-19(27)17-15-16-9-6-7-10-18(16)26-21(17)30-14-8-13-22(23,24)25/h6-7,9-10,15,19,27H,3,5,8,11-14H2,1H3
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>1.00E+4>-26.5n/an/an/an/an/a8.24



Université de Rennes 1



Assay Description
Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...


J Enzyme Inhib Med Chem 25: 653-72 (2010)


Article DOI: 10.3109/14756360903468171
BindingDB Entry DOI: 10.7270/Q2HT2N6V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM233175
PNG
(Sodium 8-hydroxy-8-(2-methoxy-quinolin-3-yl)-oct-5...)
Show SMILES COc1nc2ccccc2cc1C(O)CC#CCCCC([O-])=O
Show InChI InChI=1S/C18H19NO4/c1-23-18-14(12-13-8-6-7-9-15(13)19-18)16(20)10-4-2-3-5-11-17(21)22/h6-9,12,16,20H,3,5,10-11H2,1H3,(H,21,22)/p-1
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>1.00E+4>-26.5n/an/an/an/an/a8.24



Université de Rennes 1



Assay Description
Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...


J Enzyme Inhib Med Chem 25: 653-72 (2010)


Article DOI: 10.3109/14756360903468171
BindingDB Entry DOI: 10.7270/Q2HT2N6V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM233177
PNG
(Sodium 8-hydroxy-8-[2-(3-methoxy-propoxy)-quinolin...)
Show SMILES COCCCOc1nc2ccccc2cc1C(O)CC#CCCCC([O-])=O
Show InChI InChI=1S/C21H25NO5/c1-26-13-8-14-27-21-17(15-16-9-6-7-10-18(16)22-21)19(23)11-4-2-3-5-12-20(24)25/h6-7,9-10,15,19,23H,3,5,8,11-14H2,1H3,(H,24,25)/p-1
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>1.00E+4>-26.5n/an/an/an/an/a8.24



Université de Rennes 1



Assay Description
Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...


J Enzyme Inhib Med Chem 25: 653-72 (2010)


Article DOI: 10.3109/14756360903468171
BindingDB Entry DOI: 10.7270/Q2HT2N6V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM233178
PNG
(Sodium 8-hydroxy-8-[2-(4,4,4-trifluoro-butoxy)-qui...)
Show SMILES OC(CC#CCCCC([O-])=O)c1cc2ccccc2nc1OCCCC(F)(F)F
Show InChI InChI=1S/C21H22F3NO4/c22-21(23,24)12-7-13-29-20-16(14-15-8-5-6-9-17(15)25-20)18(26)10-3-1-2-4-11-19(27)28/h5-6,8-9,14,18,26H,2,4,7,10-13H2,(H,27,28)/p-1
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>1.00E+4>-26.5n/an/an/an/an/a8.24



Université de Rennes 1



Assay Description
Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...


J Enzyme Inhib Med Chem 25: 653-72 (2010)


Article DOI: 10.3109/14756360903468171
BindingDB Entry DOI: 10.7270/Q2HT2N6V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM233179
PNG
(8-Hydroxy-8-(2-pentyloxy-quinolin-3-yl)-oct-5-ynoi...)
Show SMILES CCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC(=O)NCCO
Show InChI InChI=1S/C24H32N2O4/c1-2-3-10-17-30-24-20(18-19-11-8-9-12-21(19)26-24)22(28)13-6-4-5-7-14-23(29)25-15-16-27/h8-9,11-12,18,22,27-28H,2-3,5,7,10,13-17H2,1H3,(H,25,29)
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>1.00E+4>-26.5n/an/an/an/an/a8.24



Université de Rennes 1



Assay Description
Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...


J Enzyme Inhib Med Chem 25: 653-72 (2010)


Article DOI: 10.3109/14756360903468171
BindingDB Entry DOI: 10.7270/Q2HT2N6V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM233182
PNG
(8-Hydroxy-8-(2-pentyloxy-benzo[h]quinolin-3-yl)-oc...)
Show SMILES CCCCCOc1nc2c(ccc3ccccc23)cc1C(O)CC#CCCCC(=O)OC
Show InChI InChI=1S/C27H31NO4/c1-3-4-11-18-32-27-23(24(29)14-7-5-6-8-15-25(30)31-2)19-21-17-16-20-12-9-10-13-22(20)26(21)28-27/h9-10,12-13,16-17,19,24,29H,3-4,6,8,11,14-15,18H2,1-2H3
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>1.00E+4>-26.5n/an/an/an/an/a8.24



Université de Rennes 1



Assay Description
Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...


J Enzyme Inhib Med Chem 25: 653-72 (2010)


Article DOI: 10.3109/14756360903468171
BindingDB Entry DOI: 10.7270/Q2HT2N6V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM233184
PNG
(Sodium 8-hydroxy-8-(2-pentyloxy-benzo[h]quinolin-3...)
Show SMILES CCCCCOc1nc2c(ccc3ccccc23)cc1C(O)CC#CCCCC([O-])=O
Show InChI InChI=1S/C26H29NO4/c1-2-3-10-17-31-26-22(23(28)13-6-4-5-7-14-24(29)30)18-20-16-15-19-11-8-9-12-21(19)25(20)27-26/h8-9,11-12,15-16,18,23,28H,2-3,5,7,10,13-14,17H2,1H3,(H,29,30)/p-1
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>1.00E+4>-26.5n/an/an/an/an/a8.24



Université de Rennes 1



Assay Description
Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...


J Enzyme Inhib Med Chem 25: 653-72 (2010)


Article DOI: 10.3109/14756360903468171
BindingDB Entry DOI: 10.7270/Q2HT2N6V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50172808
PNG
(8-Hydroxy-8-(2-pentyloxy-pyridin-3-yl)-octanoic ac...)
Show SMILES CCCCCOc1ncccc1C(O)CCCCCCC(=O)OC
Show InChI InChI=1S/C19H31NO4/c1-3-4-9-15-24-19-16(11-10-14-20-19)17(21)12-7-5-6-8-13-18(22)23-2/h10-11,14,17,21H,3-9,12-13,15H2,1-2H3
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>1.00E+4n/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


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50172814
PNG
(8-Hydroxy-8-(2-pentyloxy-pyridin-3-yl)-oct-5-ynoic...)
Show SMILES CCCCCOc1ncccc1C(O)CC#CCCCC(=O)OC
Show InChI InChI=1S/C19H27NO4/c1-3-4-9-15-24-19-16(11-10-14-20-19)17(21)12-7-5-6-8-13-18(22)23-2/h10-11,14,17,21H,3-4,6,8-9,12-13,15H2,1-2H3
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>1.00E+4n/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


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50172809
PNG
(CHEMBL199172 | Sodium; 8-hydroxy-8-(2-pentyloxy-py...)
Show SMILES CCCCCOc1ncccc1C(O)CC#CCCCC([O-])=O
Show InChI InChI=1S/C18H25NO4/c1-2-3-8-14-23-18-15(10-9-13-19-18)16(20)11-6-4-5-7-12-17(21)22/h9-10,13,16,20H,2-3,5,7-8,11-12,14H2,1H3,(H,21,22)/p-1
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>1.00E+4n/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


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50172813
PNG
(8-Hydroxy-8-(2-pentyloxy-quinolin-3-yl)-oct-5-ynoi...)
Show SMILES CCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC(=O)OC
Show InChI InChI=1S/C23H29NO4/c1-3-4-11-16-28-23-19(17-18-12-9-10-13-20(18)24-23)21(25)14-7-5-6-8-15-22(26)27-2/h9-10,12-13,17,21,25H,3-4,6,8,11,14-16H2,1-2H3
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>1.00E+4n/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


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50172804
PNG
(CHEMBL198034 | Sodium; 8-hydroxy-8-(2-pentyloxy-py...)
Show SMILES CCCCCOc1ncccc1C(O)CCCCCCC([O-])=O
Show InChI InChI=1S/C18H29NO4/c1-2-3-8-14-23-18-15(10-9-13-19-18)16(20)11-6-4-5-7-12-17(21)22/h9-10,13,16,20H,2-8,11-12,14H2,1H3,(H,21,22)/p-1
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>1.00E+4n/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


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50172820
PNG
(CHEMBL196260 | Sodium; (E)-8-hydroxy-8-(2-pentylox...)
Show SMILES CCCCCOc1ncccc1C(O)C\C=C\CCCC([O-])=O
Show InChI InChI=1S/C18H27NO4/c1-2-3-8-14-23-18-15(10-9-13-19-18)16(20)11-6-4-5-7-12-17(21)22/h4,6,9-10,13,16,20H,2-3,5,7-8,11-12,14H2,1H3,(H,21,22)/p-1/b6-4+
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>1.00E+4n/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


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50172815
PNG
(CHEMBL370374 | Sodium; 8-hydroxy-8-(2-pentyloxy-ph...)
Show SMILES CCCCCOc1ccccc1C(O)CC#CCCCC([O-])=O
Show InChI InChI=1S/C19H26O4/c1-2-3-10-15-23-18-13-9-8-11-16(18)17(20)12-6-4-5-7-14-19(21)22/h8-9,11,13,17,20H,2-3,5,7,10,12,14-15H2,1H3,(H,21,22)/p-1
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>1.00E+4n/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


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50172824
PNG
(9-Hydroxy-9-(2-pentyloxy-quinolin-3-yl)-nonanoic a...)
Show SMILES CCCCCOc1nc2ccccc2cc1C(O)CCCCCCCC(=O)OC
Show InChI InChI=1S/C24H35NO4/c1-3-4-12-17-29-24-20(18-19-13-10-11-14-21(19)25-24)22(26)15-8-6-5-7-9-16-23(27)28-2/h10-11,13-14,18,22,26H,3-9,12,15-17H2,1-2H3
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>1.00E+4n/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


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50172803
PNG
((E)-8-Hydroxy-8-(2-pentyloxy-pyridin-3-yl)-oct-5-e...)
Show SMILES CCCCCOc1ncccc1C(O)C\C=C\CCCC(=O)OC
Show InChI InChI=1S/C19H29NO4/c1-3-4-9-15-24-19-16(11-10-14-20-19)17(21)12-7-5-6-8-13-18(22)23-2/h5,7,10-11,14,17,21H,3-4,6,8-9,12-13,15H2,1-2H3/b7-5+
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>1.00E+4n/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


Bioorg Med Chem Lett 15: 4421-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50592423
PNG
(CHEMBL4434865)
Show SMILES C(N1CCC(CC1)n1cc(Cc2ccccc2)nn1)c1ccccc1
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116851
BindingDB Entry DOI: 10.7270/Q2CR5ZC1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50172813
PNG
(8-Hydroxy-8-(2-pentyloxy-quinolin-3-yl)-oct-5-ynoi...)
Show SMILES CCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC(=O)OC
Show InChI InChI=1S/C23H29NO4/c1-3-4-11-16-28-23-19(17-18-12-9-10-13-20(18)24-23)21(25)14-7-5-6-8-15-22(26)27-2/h9-10,12-13,17,21,25H,3-4,6,8,11,14-16H2,1-2H3
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>1.00E+4>-26.5n/an/an/an/an/a8.24



Université de Rennes 1



Assay Description
Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...


J Enzyme Inhib Med Chem 25: 653-72 (2010)


Article DOI: 10.3109/14756360903468171
BindingDB Entry DOI: 10.7270/Q2HT2N6V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM233172
PNG
(8-Hydroxy-8-(2-octyloxy-quinolin-3-yl)-oct-5-ynoic...)
Show SMILES CCCCCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC(=O)OC
Show InChI InChI=1S/C26H35NO4/c1-3-4-5-6-9-14-19-31-26-22(20-21-15-12-13-16-23(21)27-26)24(28)17-10-7-8-11-18-25(29)30-2/h12-13,15-16,20,24,28H,3-6,8-9,11,14,17-19H2,1-2H3
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>1.00E+4>-26.5n/an/an/an/an/a8.24



Université de Rennes 1



Assay Description
Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...


J Enzyme Inhib Med Chem 25: 653-72 (2010)


Article DOI: 10.3109/14756360903468171
BindingDB Entry DOI: 10.7270/Q2HT2N6V
More data for this
Ligand-Target Pair
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