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PubMed code 20128594

Compile data set for download or QSAR
Found 51 hits of Enzyme Inhibition Constant Data   
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
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50415437
PNG
(CHEMBL598371)
Show SMILES Fc1cc(Br)ccc1C(=O)NCCS(=O)(=O)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C15H11BrF4N2O3S/c16-10-2-3-11(12(17)7-10)14(23)21-5-6-26(24,25)13-4-1-9(8-22-13)15(18,19)20/h1-4,7-8H,5-6H2,(H,21,23)
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n/an/a 50.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human PPARdelta receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50415437
PNG
(CHEMBL598371)
Show SMILES Fc1cc(Br)ccc1C(=O)NCCS(=O)(=O)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C15H11BrF4N2O3S/c16-10-2-3-11(12(17)7-10)14(23)21-5-6-26(24,25)13-4-1-9(8-22-13)15(18,19)20/h1-4,7-8H,5-6H2,(H,21,23)
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n/an/a 79.4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human PPARdelta ligand binding domain-mediated transcriptional activity in CV1 cells by Gal4 chimera reporter assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50415441
PNG
(CHEMBL604959)
Show SMILES FC(F)(F)Oc1ccc(cc1)C(=O)NCCS(=O)(=O)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C16H12F6N2O4S/c17-15(18,19)11-3-6-13(24-9-11)29(26,27)8-7-23-14(25)10-1-4-12(5-2-10)28-16(20,21)22/h1-6,9H,7-8H2,(H,23,25)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human PPARdelta receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50415436
PNG
(CHEMBL609901)
Show SMILES Cc1cc(ccc1Cl)C(=O)NCCS(=O)(=O)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C16H14ClF3N2O3S/c1-10-8-11(2-4-13(10)17)15(23)21-6-7-26(24,25)14-5-3-12(9-22-14)16(18,19)20/h2-5,8-9H,6-7H2,1H3,(H,21,23)
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human PPARdelta receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50415440
PNG
(CHEMBL598608 | GSK-3787)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClF3N2O3S/c16-12-4-1-10(2-5-12)14(22)20-7-8-25(23,24)13-6-3-11(9-21-13)15(17,18)19/h1-6,9H,7-8H2,(H,20,22)
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human PPARdelta ligand binding domain-mediated transcriptional activity in CV1 cells by Gal4 chimera reporter assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50415444
PNG
(CHEMBL611073)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(Cl)c(Br)c1
Show InChI InChI=1S/C15H11BrClF3N2O3S/c16-11-7-9(1-3-12(11)17)14(23)21-5-6-26(24,25)13-4-2-10(8-22-13)15(18,19)20/h1-4,7-8H,5-6H2,(H,21,23)
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human PPARdelta receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM28661
PNG
(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)
Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human PPARdelta ligand binding domain-mediated transcriptional activity in CV1 cells by Gal4 chimera reporter assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50383373
PNG
(CHEMBL592652 | GSK0660)
Show SMILES COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1OC
Show InChI InChI=1S/C19H18N2O5S2/c1-25-16-12-14(20-13-6-4-3-5-7-13)8-9-15(16)21-28(23,24)17-10-11-27-18(17)19(22)26-2/h3-12,20-21H,1-2H3
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human PPARdelta receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50415435
PNG
(CHEMBL598156)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C15H11Cl2F3N2O3S/c16-10-2-3-11(12(17)7-10)14(23)21-5-6-26(24,25)13-4-1-9(8-22-13)15(18,19)20/h1-4,7-8H,5-6H2,(H,21,23)
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human PPARdelta receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50415440
PNG
(CHEMBL598608 | GSK-3787)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClF3N2O3S/c16-12-4-1-10(2-5-12)14(22)20-7-8-25(23,24)13-6-3-11(9-21-13)15(17,18)19/h1-6,9H,7-8H2,(H,20,22)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human PPARdelta receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50415434
PNG
(CHEMBL598155)
Show SMILES CC(C)Cc1ccc(cc1)C(=O)NCCS(=O)(=O)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C19H21F3N2O3S/c1-13(2)11-14-3-5-15(6-4-14)18(25)23-9-10-28(26,27)17-8-7-16(12-24-17)19(20,21)22/h3-8,12-13H,9-11H2,1-2H3,(H,23,25)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human PPARdelta ligand binding domain-mediated transcriptional activity in CV1 cells by Gal4 chimera reporter assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50415435
PNG
(CHEMBL598156)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C15H11Cl2F3N2O3S/c16-10-2-3-11(12(17)7-10)14(23)21-5-6-26(24,25)13-4-1-9(8-22-13)15(18,19)20/h1-4,7-8H,5-6H2,(H,21,23)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human PPARdelta ligand binding domain-mediated transcriptional activity in CV1 cells by Gal4 chimera reporter assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50415442
PNG
(CHEMBL598609)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H17F3N2O3S/c22-21(23,24)18-10-11-19(26-14-18)30(28,29)13-12-25-20(27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,25,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human PPARdelta receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50415444
PNG
(CHEMBL611073)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(Cl)c(Br)c1
Show InChI InChI=1S/C15H11BrClF3N2O3S/c16-11-7-9(1-3-12(11)17)14(23)21-5-6-26(24,25)13-4-2-10(8-22-13)15(18,19)20/h1-4,7-8H,5-6H2,(H,21,23)
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human PPARdelta ligand binding domain-mediated transcriptional activity in CV1 cells by Gal4 chimera reporter assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50415442
PNG
(CHEMBL598609)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H17F3N2O3S/c22-21(23,24)18-10-11-19(26-14-18)30(28,29)13-12-25-20(27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,25,27)
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human PPARdelta ligand binding domain-mediated transcriptional activity in CV1 cells by Gal4 chimera reporter assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50415436
PNG
(CHEMBL609901)
Show SMILES Cc1cc(ccc1Cl)C(=O)NCCS(=O)(=O)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C16H14ClF3N2O3S/c1-10-8-11(2-4-13(10)17)15(23)21-6-7-26(24,25)14-5-3-12(9-22-14)16(18,19)20/h2-5,8-9H,6-7H2,1H3,(H,21,23)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human PPARdelta ligand binding domain-mediated transcriptional activity in CV1 cells by Gal4 chimera reporter assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50415434
PNG
(CHEMBL598155)
Show SMILES CC(C)Cc1ccc(cc1)C(=O)NCCS(=O)(=O)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C19H21F3N2O3S/c1-13(2)11-14-3-5-15(6-4-14)18(25)23-9-10-28(26,27)17-8-7-16(12-24-17)19(20,21)22/h3-8,12-13H,9-11H2,1-2H3,(H,23,25)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human PPARdelta receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50383373
PNG
(CHEMBL592652 | GSK0660)
Show SMILES COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1OC
Show InChI InChI=1S/C19H18N2O5S2/c1-25-16-12-14(20-13-6-4-3-5-7-13)8-9-15(16)21-28(23,24)17-10-11-27-18(17)19(22)26-2/h3-12,20-21H,1-2H3
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n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human PPARdelta ligand binding domain-mediated transcriptional activity in CV1 cells by Gal4 chimera reporter assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50415443
PNG
(CHEMBL597956)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C21H23F3N2O3S/c22-21(23,24)18-10-11-19(26-14-18)30(28,29)13-12-25-20(27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-11,14-15H,1-5,12-13H2,(H,25,27)
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human PPARdelta receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50415438
PNG
(CHEMBL597349)
Show SMILES FC(F)(F)Oc1ccc(cc1)C(=O)NCCCS(=O)(=O)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C17H14F6N2O4S/c18-16(19,20)12-4-7-14(25-10-12)30(27,28)9-1-8-24-15(26)11-2-5-13(6-3-11)29-17(21,22)23/h2-7,10H,1,8-9H2,(H,24,26)
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human PPARdelta receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50415440
PNG
(CHEMBL598608 | GSK-3787)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClF3N2O3S/c16-12-4-1-10(2-5-12)14(22)20-7-8-25(23,24)13-6-3-11(9-21-13)15(17,18)19/h1-6,9H,7-8H2,(H,20,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human PPARgamma receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50415445
PNG
(CHEMBL598372)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCCNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H14ClF3N2O3S/c17-13-5-2-11(3-6-13)15(23)21-8-1-9-26(24,25)14-7-4-12(10-22-14)16(18,19)20/h2-7,10H,1,8-9H2,(H,21,23)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human PPARdelta receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50415446
PNG
(CHEMBL597350)
Show SMILES Clc1ccc(cc1)C(=O)NCCS(=O)(=O)c1ccccn1
Show InChI InChI=1S/C14H13ClN2O3S/c15-12-6-4-11(5-7-12)14(18)17-9-10-21(19,20)13-3-1-2-8-16-13/h1-8H,9-10H2,(H,17,18)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW2433 from human PPARalpha receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50415444
PNG
(CHEMBL611073)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(Cl)c(Br)c1
Show InChI InChI=1S/C15H11BrClF3N2O3S/c16-11-7-9(1-3-12(11)17)14(23)21-5-6-26(24,25)13-4-2-10(8-22-13)15(18,19)20/h1-4,7-8H,5-6H2,(H,21,23)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW2433 from human PPARalpha receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50415435
PNG
(CHEMBL598156)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C15H11Cl2F3N2O3S/c16-10-2-3-11(12(17)7-10)14(23)21-5-6-26(24,25)13-4-1-9(8-22-13)15(18,19)20/h1-4,7-8H,5-6H2,(H,21,23)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW2433 from human PPARalpha receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50415439
PNG
(CHEMBL605207)
Show SMILES Cc1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H15ClN2O3S/c1-11-2-7-14(18-10-11)22(20,21)9-8-17-15(19)12-3-5-13(16)6-4-12/h2-7,10H,8-9H2,1H3,(H,17,19)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human PPARdelta receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50415442
PNG
(CHEMBL598609)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H17F3N2O3S/c22-21(23,24)18-10-11-19(26-14-18)30(28,29)13-12-25-20(27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,25,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human PPARgamma receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50415439
PNG
(CHEMBL605207)
Show SMILES Cc1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H15ClN2O3S/c1-11-2-7-14(18-10-11)22(20,21)9-8-17-15(19)12-3-5-13(16)6-4-12/h2-7,10H,8-9H2,1H3,(H,17,19)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human PPARgamma receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50415436
PNG
(CHEMBL609901)
Show SMILES Cc1cc(ccc1Cl)C(=O)NCCS(=O)(=O)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C16H14ClF3N2O3S/c1-10-8-11(2-4-13(10)17)15(23)21-6-7-26(24,25)14-5-3-12(9-22-14)16(18,19)20/h2-5,8-9H,6-7H2,1H3,(H,21,23)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW2433 from human PPARalpha receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50415443
PNG
(CHEMBL597956)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C21H23F3N2O3S/c22-21(23,24)18-10-11-19(26-14-18)30(28,29)13-12-25-20(27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-11,14-15H,1-5,12-13H2,(H,25,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human PPARgamma receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50415437
PNG
(CHEMBL598371)
Show SMILES Fc1cc(Br)ccc1C(=O)NCCS(=O)(=O)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C15H11BrF4N2O3S/c16-10-2-3-11(12(17)7-10)14(23)21-5-6-26(24,25)13-4-1-9(8-22-13)15(18,19)20/h1-4,7-8H,5-6H2,(H,21,23)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW2433 from human PPARalpha receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50415446
PNG
(CHEMBL597350)
Show SMILES Clc1ccc(cc1)C(=O)NCCS(=O)(=O)c1ccccn1
Show InChI InChI=1S/C14H13ClN2O3S/c15-12-6-4-11(5-7-12)14(18)17-9-10-21(19,20)13-3-1-2-8-16-13/h1-8H,9-10H2,(H,17,18)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human PPARdelta receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50415445
PNG
(CHEMBL598372)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCCNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H14ClF3N2O3S/c17-13-5-2-11(3-6-13)15(23)21-8-1-9-26(24,25)14-7-4-12(10-22-14)16(18,19)20/h2-7,10H,1,8-9H2,(H,21,23)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW2433 from human PPARalpha receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50415440
PNG
(CHEMBL598608 | GSK-3787)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClF3N2O3S/c16-12-4-1-10(2-5-12)14(22)20-7-8-25(23,24)13-6-3-11(9-21-13)15(17,18)19/h1-6,9H,7-8H2,(H,20,22)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW2433 from human PPARalpha receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50415435
PNG
(CHEMBL598156)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C15H11Cl2F3N2O3S/c16-10-2-3-11(12(17)7-10)14(23)21-5-6-26(24,25)13-4-1-9(8-22-13)15(18,19)20/h1-4,7-8H,5-6H2,(H,21,23)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human PPARgamma receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50383373
PNG
(CHEMBL592652 | GSK0660)
Show SMILES COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1OC
Show InChI InChI=1S/C19H18N2O5S2/c1-25-16-12-14(20-13-6-4-3-5-7-13)8-9-15(16)21-28(23,24)17-10-11-27-18(17)19(22)26-2/h3-12,20-21H,1-2H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW2433 from human PPARalpha receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50415443
PNG
(CHEMBL597956)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C21H23F3N2O3S/c22-21(23,24)18-10-11-19(26-14-18)30(28,29)13-12-25-20(27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-11,14-15H,1-5,12-13H2,(H,25,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW2433 from human PPARalpha receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50415434
PNG
(CHEMBL598155)
Show SMILES CC(C)Cc1ccc(cc1)C(=O)NCCS(=O)(=O)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C19H21F3N2O3S/c1-13(2)11-14-3-5-15(6-4-14)18(25)23-9-10-28(26,27)17-8-7-16(12-24-17)19(20,21)22/h3-8,12-13H,9-11H2,1-2H3,(H,23,25)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human PPARgamma receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50415438
PNG
(CHEMBL597349)
Show SMILES FC(F)(F)Oc1ccc(cc1)C(=O)NCCCS(=O)(=O)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C17H14F6N2O4S/c18-16(19,20)12-4-7-14(25-10-12)30(27,28)9-1-8-24-15(26)11-2-5-13(6-3-11)29-17(21,22)23/h2-7,10H,1,8-9H2,(H,24,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human PPARgamma receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50415442
PNG
(CHEMBL598609)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H17F3N2O3S/c22-21(23,24)18-10-11-19(26-14-18)30(28,29)13-12-25-20(27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,25,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW2433 from human PPARalpha receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50415441
PNG
(CHEMBL604959)
Show SMILES FC(F)(F)Oc1ccc(cc1)C(=O)NCCS(=O)(=O)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C16H12F6N2O4S/c17-15(18,19)11-3-6-13(24-9-11)29(26,27)8-7-23-14(25)10-1-4-12(5-2-10)28-16(20,21)22/h1-6,9H,7-8H2,(H,23,25)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human PPARgamma receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50415434
PNG
(CHEMBL598155)
Show SMILES CC(C)Cc1ccc(cc1)C(=O)NCCS(=O)(=O)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C19H21F3N2O3S/c1-13(2)11-14-3-5-15(6-4-14)18(25)23-9-10-28(26,27)17-8-7-16(12-24-17)19(20,21)22/h3-8,12-13H,9-11H2,1-2H3,(H,23,25)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW2433 from human PPARalpha receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50415439
PNG
(CHEMBL605207)
Show SMILES Cc1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H15ClN2O3S/c1-11-2-7-14(18-10-11)22(20,21)9-8-17-15(19)12-3-5-13(16)6-4-12/h2-7,10H,8-9H2,1H3,(H,17,19)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW2433 from human PPARalpha receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50383373
PNG
(CHEMBL592652 | GSK0660)
Show SMILES COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1OC
Show InChI InChI=1S/C19H18N2O5S2/c1-25-16-12-14(20-13-6-4-3-5-7-13)8-9-15(16)21-28(23,24)17-10-11-27-18(17)19(22)26-2/h3-12,20-21H,1-2H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human PPARgamma receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50415441
PNG
(CHEMBL604959)
Show SMILES FC(F)(F)Oc1ccc(cc1)C(=O)NCCS(=O)(=O)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C16H12F6N2O4S/c17-15(18,19)11-3-6-13(24-9-11)29(26,27)8-7-23-14(25)10-1-4-12(5-2-10)28-16(20,21)22/h1-6,9H,7-8H2,(H,23,25)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW2433 from human PPARalpha receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50415444
PNG
(CHEMBL611073)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(Cl)c(Br)c1
Show InChI InChI=1S/C15H11BrClF3N2O3S/c16-11-7-9(1-3-12(11)17)14(23)21-5-6-26(24,25)13-4-2-10(8-22-13)15(18,19)20/h1-4,7-8H,5-6H2,(H,21,23)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human PPARgamma receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50415437
PNG
(CHEMBL598371)
Show SMILES Fc1cc(Br)ccc1C(=O)NCCS(=O)(=O)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C15H11BrF4N2O3S/c16-10-2-3-11(12(17)7-10)14(23)21-5-6-26(24,25)13-4-1-9(8-22-13)15(18,19)20/h1-4,7-8H,5-6H2,(H,21,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human PPARgamma receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50415446
PNG
(CHEMBL597350)
Show SMILES Clc1ccc(cc1)C(=O)NCCS(=O)(=O)c1ccccn1
Show InChI InChI=1S/C14H13ClN2O3S/c15-12-6-4-11(5-7-12)14(18)17-9-10-21(19,20)13-3-1-2-8-16-13/h1-8H,9-10H2,(H,17,18)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human PPARgamma receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50415445
PNG
(CHEMBL598372)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCCNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H14ClF3N2O3S/c17-13-5-2-11(3-6-13)15(23)21-8-1-9-26(24,25)14-7-4-12(10-22-14)16(18,19)20/h2-7,10H,1,8-9H2,(H,21,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human PPARgamma receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50415436
PNG
(CHEMBL609901)
Show SMILES Cc1cc(ccc1Cl)C(=O)NCCS(=O)(=O)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C16H14ClF3N2O3S/c1-10-8-11(2-4-13(10)17)15(23)21-6-7-26(24,25)14-5-3-12(9-22-14)16(18,19)20/h2-5,8-9H,6-7H2,1H3,(H,21,23)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human PPARgamma receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50415438
PNG
(CHEMBL597349)
Show SMILES FC(F)(F)Oc1ccc(cc1)C(=O)NCCCS(=O)(=O)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C17H14F6N2O4S/c18-16(19,20)12-4-7-14(25-10-12)30(27,28)9-1-8-24-15(26)11-2-5-13(6-3-11)29-17(21,22)23/h2-7,10H,1,8-9H2,(H,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW2433 from human PPARalpha receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%