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PubMed code 21482446

Compile data set for download or QSAR
Found 55 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


(Homo sapiens (human))
BDBM50133663
PNG
(5-{3-[3-(4-Benzoyl-2-propyl-phenoxy)-propoxy]-phen...)
Show SMILES CCCc1cc(ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O)C(=O)c1ccccc1
Show InChI InChI=1S/C28H27NO5S/c1-2-8-20-17-21(25(30)19-9-4-3-5-10-19)13-14-24(20)34-16-7-15-33-23-12-6-11-22(18-23)26-27(31)29-28(32)35-26/h3-6,9-14,17-18,31H,2,7-8,15-16H2,1H3,(H,29,32)
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n/an/a 19n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50131514
PNG
(5-(3-{3-[4-(4-Hydroxy-phenoxy)-2-propyl-phenoxy]-p...)
Show SMILES CCCc1cc(Oc2ccc(O)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H27NO6S/c1-2-5-18-16-23(34-21-10-8-20(29)9-11-21)12-13-24(18)33-15-4-14-32-22-7-3-6-19(17-22)25-26(30)28-27(31)35-25/h3,6-13,16-17,29-30H,2,4-5,14-15H2,1H3,(H,28,31)
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n/an/a 30n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50133661
PNG
(5-{3-[3-(4-Benzo[d]isoxazol-3-yl-2-propyl-phenoxy)...)
Show SMILES CCCc1cc(ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O)-c1noc2ccccc12
Show InChI InChI=1S/C28H26N2O5S/c1-2-7-18-16-19(25-22-10-3-4-11-24(22)35-30-25)12-13-23(18)34-15-6-14-33-21-9-5-8-20(17-21)26-27(31)29-28(32)36-26/h3-5,8-13,16-17,31H,2,6-7,14-15H2,1H3,(H,29,32)
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n/an/a 30n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50133658
PNG
(5-{3-[3-(4-Cyclohexyloxy-2-propyl-phenoxy)-propoxy...)
Show SMILES CCCc1cc(OC2CCCCC2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H33NO5S/c1-2-8-19-17-23(33-21-10-4-3-5-11-21)13-14-24(19)32-16-7-15-31-22-12-6-9-20(18-22)25-26(29)28-27(30)34-25/h6,9,12-14,17-18,21,29H,2-5,7-8,10-11,15-16H2,1H3,(H,28,30)
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n/an/a 37n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50133654
PNG
(5-{3-[3-(4-Cyclohexanecarbonyl-2-propyl-phenoxy)-p...)
Show SMILES CCCc1cc(ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O)C(=O)C1CCCCC1
Show InChI InChI=1S/C28H33NO5S/c1-2-8-20-17-21(25(30)19-9-4-3-5-10-19)13-14-24(20)34-16-7-15-33-23-12-6-11-22(18-23)26-27(31)29-28(32)35-26/h6,11-14,17-19,31H,2-5,7-10,15-16H2,1H3,(H,29,32)
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n/an/a 46n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50126019
PNG
(CHEMBL1783033 | CHEMBL23874 | {3-Chloro-4-[3-(3-hy...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc(C(CC)N=O)c1O
Show InChI InChI=1S/C23H28ClNO5S/c1-3-6-17-20(9-8-16(23(17)28)19(4-2)25-29)30-11-5-12-31-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13,19,28H,3-6,11-12,14H2,1-2H3,(H,26,27)
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n/an/a 48n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50131512
PNG
(5-(3-{3-[4-(4-Chloro-3-methyl-phenoxy)-2-propyl-ph...)
Show SMILES CCCc1cc(Oc2ccc(Cl)c(C)c2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H28ClNO5S/c1-3-6-19-16-23(35-22-9-11-24(29)18(2)15-22)10-12-25(19)34-14-5-13-33-21-8-4-7-20(17-21)26-27(31)30-28(32)36-26/h4,7-12,15-17,31H,3,5-6,13-14H2,1-2H3,(H,30,32)
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n/an/a 56n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50131503
PNG
(5-{3-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-phen...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H27NO5S/c1-2-8-19-17-23(33-21-10-4-3-5-11-21)13-14-24(19)32-16-7-15-31-22-12-6-9-20(18-22)25-26(29)28-27(30)34-25/h3-6,9-14,17-18,29H,2,7-8,15-16H2,1H3,(H,28,30)
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n/an/a 57n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50131503
PNG
(5-{3-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-phen...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H27NO5S/c1-2-8-19-17-23(33-21-10-4-3-5-11-21)13-14-24(19)32-16-7-15-31-22-12-6-9-20(18-22)25-26(29)28-27(30)34-25/h3-6,9-14,17-18,29H,2,7-8,15-16H2,1H3,(H,28,30)
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n/an/a 57n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50133666
PNG
(5-{3-[3-(4-Cyclohexylmethyl-2-propyl-phenoxy)-prop...)
Show SMILES CCCc1cc(CC2CCCCC2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H35NO4S/c1-2-8-22-18-21(17-20-9-4-3-5-10-20)13-14-25(22)33-16-7-15-32-24-12-6-11-23(19-24)26-27(30)29-28(31)34-26/h6,11-14,18-20,30H,2-5,7-10,15-17H2,1H3,(H,29,31)
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n/an/a 59n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50133667
PNG
(5-{3-[3-(4-Cyclopentyloxy-2-propyl-phenoxy)-propox...)
Show SMILES CCCc1cc(OC2CCCC2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C26H31NO5S/c1-2-7-18-16-22(32-20-9-3-4-10-20)12-13-23(18)31-15-6-14-30-21-11-5-8-19(17-21)24-25(28)27-26(29)33-24/h5,8,11-13,16-17,20,28H,2-4,6-7,9-10,14-15H2,1H3,(H,27,29)
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n/an/a 63n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50131511
PNG
(5-(3-{3-[4-(3,4-Dichloro-phenoxy)-2-propyl-phenoxy...)
Show SMILES CCCc1cc(Oc2ccc(Cl)c(Cl)c2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H25Cl2NO5S/c1-2-5-17-14-20(35-21-8-10-22(28)23(29)16-21)9-11-24(17)34-13-4-12-33-19-7-3-6-18(15-19)25-26(31)30-27(32)36-25/h3,6-11,14-16,31H,2,4-5,12-13H2,1H3,(H,30,32)
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n/an/a 64n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50131504
PNG
(5-(3-{3-[4-(4-Chloro-phenoxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(Cl)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26ClNO5S/c1-2-5-18-16-23(34-21-10-8-20(28)9-11-21)12-13-24(18)33-15-4-14-32-22-7-3-6-19(17-22)25-26(30)29-27(31)35-25/h3,6-13,16-17,30H,2,4-5,14-15H2,1H3,(H,29,31)
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n/an/a 73n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50131502
PNG
(5-{3-[3-(4-Phenoxy-phenoxy)-propoxy]-phenyl}-thiaz...)
Show SMILES Oc1[nH]c(=O)sc1-c1cccc(OCCCOc2ccc(Oc3ccccc3)cc2)c1
Show InChI InChI=1S/C24H21NO5S/c26-23-22(31-24(27)25-23)17-6-4-9-21(16-17)29-15-5-14-28-18-10-12-20(13-11-18)30-19-7-2-1-3-8-19/h1-4,6-13,16,26H,5,14-15H2,(H,25,27)
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n/an/a 76n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50131506
PNG
(5-(3-{3-[4-(4-Fluoro-phenoxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26FNO5S/c1-2-5-18-16-23(34-21-10-8-20(28)9-11-21)12-13-24(18)33-15-4-14-32-22-7-3-6-19(17-22)25-26(30)29-27(31)35-25/h3,6-13,16-17,30H,2,4-5,14-15H2,1H3,(H,29,31)
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n/an/a 77n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50131505
PNG
(5-(3-{3-[4-(4-Fluoro-3-methyl-phenoxy)-2-propyl-ph...)
Show SMILES CCCc1cc(Oc2ccc(F)c(C)c2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H28FNO5S/c1-3-6-19-16-23(35-22-9-11-24(29)18(2)15-22)10-12-25(19)34-14-5-13-33-21-8-4-7-20(17-21)26-27(31)30-28(32)36-26/h4,7-12,15-17,31H,3,5-6,13-14H2,1-2H3,(H,30,32)
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n/an/a 78n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50133669
PNG
(5-{3-[3-(4-Cycloheptyloxy-2-propyl-phenoxy)-propox...)
Show SMILES CCCc1cc(OC2CCCCCC2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H35NO5S/c1-2-9-20-18-24(34-22-11-5-3-4-6-12-22)14-15-25(20)33-17-8-16-32-23-13-7-10-21(19-23)26-27(30)29-28(31)35-26/h7,10,13-15,18-19,22,30H,2-6,8-9,11-12,16-17H2,1H3,(H,29,31)
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n/an/a 85n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50085040
PNG
(CHEMBL278994 | L-796449 | {3-Chloro-4-[3-(3-phenyl...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(coc12)-c1ccccc1
Show InChI InChI=1S/C28H27ClO4S/c1-2-7-22-25(12-11-21-23(18-33-28(21)22)20-8-4-3-5-9-20)32-14-6-15-34-26-13-10-19(16-24(26)29)17-27(30)31/h3-5,8-13,16,18H,2,6-7,14-15,17H2,1H3,(H,30,31)
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n/an/a 94n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50126016
PNG
(2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)noc12
Show InChI InChI=1S/C23H26ClNO4S/c1-3-6-17-20(9-8-16-19(4-2)25-29-23(16)17)28-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,26,27)
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n/an/a 110n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50126018
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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n/an/a 140n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50133656
PNG
(5-(3-{3-[4-(4-Chloro-benzoyl)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H26ClNO5S/c1-2-5-19-16-20(25(31)18-8-11-22(29)12-9-18)10-13-24(19)35-15-4-14-34-23-7-3-6-21(17-23)26-27(32)30-28(33)36-26/h3,6-13,16-17,32H,2,4-5,14-15H2,1H3,(H,30,33)
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n/an/a 144n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50346490
PNG
((S)-5-(3-(3-(4-(cyclohexylidenemethyl)-2-propylphe...)
Show SMILES CCCc1cc(C=C2CCCCC2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H33NO4S/c1-2-8-22-18-21(17-20-9-4-3-5-10-20)13-14-25(22)33-16-7-15-32-24-12-6-11-23(19-24)26-27(30)29-28(31)34-26/h6,11-14,17-19,30H,2-5,7-10,15-16H2,1H3,(H,29,31)
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n/an/a 150n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50131509
PNG
(5-(3-{3-[4-(4-Isopropyl-phenoxy)-2-propyl-phenoxy]...)
Show SMILES CCCc1cc(Oc2ccc(cc2)C(C)C)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C30H33NO5S/c1-4-7-22-18-26(36-24-12-10-21(11-13-24)20(2)3)14-15-27(22)35-17-6-16-34-25-9-5-8-23(19-25)28-29(32)31-30(33)37-28/h5,8-15,18-20,32H,4,6-7,16-17H2,1-3H3,(H,31,33)
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n/an/a 170n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50346507
PNG
((S)-5-(3-(3-(4-((1r,4r)-4-hydroxycyclohexyl)-2-pro...)
Show SMILES CCCc1cc(ccc1OCCCOc1cccc(c1)-c1oc(=O)[nH]c1O)[C@H]1CC[C@H](O)CC1
Show InChI InChI=1S/C27H33NO6/c1-2-5-20-16-19(18-8-11-22(29)12-9-18)10-13-24(20)33-15-4-14-32-23-7-3-6-21(17-23)25-26(30)28-27(31)34-25/h3,6-7,10,13,16-18,22,29-30H,2,4-5,8-9,11-12,14-15H2,1H3,(H,28,31)/t18-,22-
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n/an/a 180n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50127931
PNG
(5-{4-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-phen...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H27NO5S/c1-2-7-20-18-23(33-22-8-4-3-5-9-22)14-15-24(20)32-17-6-16-31-21-12-10-19(11-13-21)25-26(29)28-27(30)34-25/h3-5,8-15,18,29H,2,6-7,16-17H2,1H3,(H,28,30)
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n/an/a 180n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50131501
PNG
(5-{3-[4-(4-Phenoxy-2-propyl-phenoxy)-butoxy]-pheny...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO5S/c1-2-9-20-18-24(34-22-11-4-3-5-12-22)14-15-25(20)33-17-7-6-16-32-23-13-8-10-21(19-23)26-27(30)29-28(31)35-26/h3-5,8,10-15,18-19,30H,2,6-7,9,16-17H2,1H3,(H,29,31)
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n/an/a 195n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(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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n/an/a 210n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50131513
PNG
(5-(3-{3-[4-(Biphenyl-4-yloxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(cc2)-c2ccccc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C33H31NO5S/c1-2-8-25-21-29(39-27-15-13-24(14-16-27)23-9-4-3-5-10-23)17-18-30(25)38-20-7-19-37-28-12-6-11-26(22-28)31-32(35)34-33(36)40-31/h3-6,9-18,21-22,35H,2,7-8,19-20H2,1H3,(H,34,36)
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n/an/a 226n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50131510
PNG
(5-(3-{3-[4-(4-Isobutyl-phenoxy)-2-propyl-phenoxy]-...)
Show SMILES CCCc1cc(Oc2ccc(CC(C)C)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C31H35NO5S/c1-4-7-23-19-27(37-25-12-10-22(11-13-25)18-21(2)3)14-15-28(23)36-17-6-16-35-26-9-5-8-24(20-26)29-30(33)32-31(34)38-29/h5,8-15,19-21,33H,4,6-7,16-18H2,1-3H3,(H,32,34)
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n/an/a 291n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50126020
PNG
(CHEMBL25710 | {3-Chloro-4-[3-(3-hydroxy-4-propiony...)
Show SMILES CCCc1c(O)c(ccc1OCCCSc1ccc(CC(O)=O)cc1Cl)C(=O)CC
Show InChI InChI=1S/C23H27ClO5S/c1-3-6-17-20(9-8-16(23(17)28)19(25)4-2)29-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13,28H,3-6,11-12,14H2,1-2H3,(H,26,27)
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n/an/a 300n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50131508
PNG
(5-(3-{3-[4-(4-Methoxy-phenoxy)-2-propyl-phenoxy]-p...)
Show SMILES CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO6S/c1-3-6-19-17-24(35-22-11-9-21(32-2)10-12-22)13-14-25(19)34-16-5-15-33-23-8-4-7-20(18-23)26-27(30)29-28(31)36-26/h4,7-14,17-18,30H,3,5-6,15-16H2,1-2H3,(H,29,31)
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n/an/a 300n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50131515
PNG
(5-(3-{3-[4-(4-tert-Butyl-phenoxy)-2-propyl-phenoxy...)
Show SMILES CCCc1cc(Oc2ccc(cc2)C(C)(C)C)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C31H35NO5S/c1-5-8-21-19-26(37-24-13-11-23(12-14-24)31(2,3)4)15-16-27(21)36-18-7-17-35-25-10-6-9-22(20-25)28-29(33)32-30(34)38-28/h6,9-16,19-20,33H,5,7-8,17-18H2,1-4H3,(H,32,34)
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n/an/a 335n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50346496
PNG
((R)-5-(3-(3-(4-cyclohexyl-2-propylphenoxy)propoxy)...)
Show SMILES CCCc1cc(ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O)C1CCCCC1
Show InChI InChI=1S/C27H33NO4S/c1-2-8-21-17-20(19-9-4-3-5-10-19)13-14-24(21)32-16-7-15-31-23-12-6-11-22(18-23)25-26(29)28-27(30)33-25/h6,11-14,17-19,29H,2-5,7-10,15-16H2,1H3,(H,28,30)
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n/an/a 340n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50133652
PNG
(5-{3-[3-(3-Propyl-biphenyl-4-yloxy)-propoxy]-pheny...)
Show SMILES CCCc1cc(ccc1OCCCOc1cccc(c1)-c1oc(=O)[nH]c1O)-c1ccccc1
Show InChI InChI=1S/C27H27NO5/c1-2-8-21-17-20(19-9-4-3-5-10-19)13-14-24(21)32-16-7-15-31-23-12-6-11-22(18-23)25-26(29)28-27(30)33-25/h3-6,9-14,17-18,29H,2,7-8,15-16H2,1H3,(H,28,30)
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n/an/a 450n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50133655
PNG
(5-{3-[3-(4-Cyclohexyl-2-propyl-phenoxy)-propoxy]-p...)
Show SMILES CCCc1cc(ccc1OCCCOc1cccc(c1)-c1oc(=O)[nH]c1O)C1CCCCC1
Show InChI InChI=1S/C27H33NO5/c1-2-8-21-17-20(19-9-4-3-5-10-19)13-14-24(21)32-16-7-15-31-23-12-6-11-22(18-23)25-26(29)28-27(30)33-25/h6,11-14,17-19,29H,2-5,7-10,15-16H2,1H3,(H,28,30)
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n/an/a 490n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50133659
PNG
(5-(3-{3-[4-(4,4-Difluoro-cyclohexyl)-2-propyl-phen...)
Show SMILES CCCc1cc(ccc1OCCCOc1cccc(c1)-c1oc(=O)[nH]c1O)C1CCC(F)(F)CC1
Show InChI InChI=1S/C27H31F2NO5/c1-2-5-20-16-19(18-10-12-27(28,29)13-11-18)8-9-23(20)34-15-4-14-33-22-7-3-6-21(17-22)24-25(31)30-26(32)35-24/h3,6-9,16-18,31H,2,4-5,10-15H2,1H3,(H,30,32)
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n/an/a 540n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50126017
PNG
(CHEMBL23670 | {3-Chloro-4-[3-(3-ethyl-7-propyl-ben...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)coc12
Show InChI InChI=1S/C24H27ClO4S/c1-3-6-19-21(9-8-18-17(4-2)15-29-24(18)19)28-11-5-12-30-22-10-7-16(13-20(22)25)14-23(26)27/h7-10,13,15H,3-6,11-12,14H2,1-2H3,(H,26,27)
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n/an/a 560n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50126021
PNG
(CHEMBL23881 | {4-[3-(4-Acetyl-3-hydroxy-2-propyl-p...)
Show SMILES CCCc1c(O)c(ccc1OCCCSc1ccc(CC(O)=O)cc1Cl)C(C)=O
Show InChI InChI=1S/C22H25ClO5S/c1-3-5-17-19(8-7-16(14(2)24)22(17)27)28-10-4-11-29-20-9-6-15(12-18(20)23)13-21(25)26/h6-9,12,27H,3-5,10-11,13H2,1-2H3,(H,25,26)
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n/an/a 580n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50133660
PNG
(5-{3-[3-(4-Cycloheptyl-2-propyl-phenoxy)-propoxy]-...)
Show SMILES CCCc1cc(ccc1OCCCOc1cccc(c1)-c1oc(=O)[nH]c1O)C1CCCCCC1
Show InChI InChI=1S/C28H35NO5/c1-2-9-22-18-21(20-10-5-3-4-6-11-20)14-15-25(22)33-17-8-16-32-24-13-7-12-23(19-24)26-27(30)29-28(31)34-26/h7,12-15,18-20,30H,2-6,8-11,16-17H2,1H3,(H,29,31)
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n/an/a 640n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50127933
PNG
(5-(4-(3-(4-(4-fluorophenoxy)-2-propylphenoxy)propo...)
Show SMILES CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26FNO5S/c1-2-4-19-17-23(34-22-11-7-20(28)8-12-22)13-14-24(19)33-16-3-15-32-21-9-5-18(6-10-21)25-26(30)29-27(31)35-25/h5-14,17,30H,2-4,15-16H2,1H3,(H,29,31)
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n/an/a 735n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50133665
PNG
(5-(3-{3-[2-Propyl-4-(tetrahydro-pyran-4-yl)-phenox...)
Show SMILES CCCc1cc(ccc1OCCCOc1cccc(c1)-c1oc(=O)[nH]c1O)C1CCOCC1
Show InChI InChI=1S/C26H31NO6/c1-2-5-20-16-19(18-10-14-30-15-11-18)8-9-23(20)32-13-4-12-31-22-7-3-6-21(17-22)24-25(28)27-26(29)33-24/h3,6-9,16-18,28H,2,4-5,10-15H2,1H3,(H,27,29)
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n/an/a 750n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50179835
PNG
(2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES CC(C)(Oc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C25H24ClFO6/c1-25(2,24(28)29)33-20-10-8-18(9-11-20)30-14-3-15-31-23-13-12-21(16-22(23)26)32-19-6-4-17(27)5-7-19/h4-13,16H,3,14-15H2,1-2H3,(H,28,29)
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n/an/a 981n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50346495
PNG
(3-(4-(3-(4-(4-fluorophenoxy)-2-propylphenoxy)propo...)
Show SMILES CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1ccc(CC(C)(C)C(O)=O)cc1
Show InChI InChI=1S/C29H33FO5/c1-4-6-22-19-26(35-25-13-9-23(30)10-14-25)15-16-27(22)34-18-5-17-33-24-11-7-21(8-12-24)20-29(2,3)28(31)32/h7-16,19H,4-6,17-18,20H2,1-3H3,(H,31,32)
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n/an/a 1.09E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50133653
PNG
(5-(3-{3-[4-(4-Oxo-cyclohexyl)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(ccc1OCCCOc1cccc(c1)-c1oc(=O)[nH]c1O)C1CCC(=O)CC1
Show InChI InChI=1S/C27H31NO6/c1-2-5-20-16-19(18-8-11-22(29)12-9-18)10-13-24(20)33-15-4-14-32-23-7-3-6-21(17-23)25-26(30)28-27(31)34-25/h3,6-7,10,13,16-18,30H,2,4-5,8-9,11-12,14-15H2,1H3,(H,28,31)
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n/an/a 1.16E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50133668
PNG
(5-(3-{3-[4-(4,4-Dimethyl-cyclohexyl)-2-propyl-phen...)
Show SMILES CCCc1cc(ccc1OCCCOc1cccc(c1)-c1oc(=O)[nH]c1O)C1CCC(C)(C)CC1
Show InChI InChI=1S/C29H37NO5/c1-4-7-22-18-21(20-12-14-29(2,3)15-13-20)10-11-25(22)34-17-6-16-33-24-9-5-8-23(19-24)26-27(31)30-28(32)35-26/h5,8-11,18-20,31H,4,6-7,12-17H2,1-3H3,(H,30,32)
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n/an/a 1.76E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50346512
PNG
(3-(4-(3-(6-chloro-4-isopropyl-2,2-dimethyl-2H-chro...)
Show SMILES CC(C)C1=CC(C)(C)Oc2cc(OCCCOc3ccc(CC(C)(C)C(O)=O)cc3)c(Cl)cc12
Show InChI InChI=1S/C28H35ClO5/c1-18(2)22-17-28(5,6)34-24-15-25(23(29)14-21(22)24)33-13-7-12-32-20-10-8-19(9-11-20)16-27(3,4)26(30)31/h8-11,14-15,17-18H,7,12-13,16H2,1-6H3,(H,30,31)
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n/an/a 1.85E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50346513
PNG
(3-(4-(3-(2,2-dimethyl-4-(3-(trifluoromethyl)phenyl...)
Show SMILES CC(C)(Cc1ccc(OCCCOc2ccc3C(=CC(C)(C)Oc3c2)c2cccc(c2)C(F)(F)F)cc1)C(O)=O
Show InChI InChI=1S/C32H33F3O5/c1-30(2,29(36)37)19-21-9-11-24(12-10-21)38-15-6-16-39-25-13-14-26-27(20-31(3,4)40-28(26)18-25)22-7-5-8-23(17-22)32(33,34)35/h5,7-14,17-18,20H,6,15-16,19H2,1-4H3,(H,36,37)
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n/an/a 1.85E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50346511
PNG
((R)-2-(4-(3-(2-chloro-4-cyclohexylphenoxy)propoxy)...)
Show SMILES CC[C@](C)(Cc1ccc(OCCCOc2ccc(cc2Cl)C2CCCCC2)cc1)C(O)=O
Show InChI InChI=1S/C27H35ClO4/c1-3-27(2,26(29)30)19-20-10-13-23(14-11-20)31-16-7-17-32-25-15-12-22(18-24(25)28)21-8-5-4-6-9-21/h10-15,18,21H,3-9,16-17,19H2,1-2H3,(H,29,30)/t27-/m1/s1
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n/an/a 1.85E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50179816
PNG
((S)-2-(4-(3-(2-chloro-4-(4,4-dimethylcyclohexyl)ph...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc(cc2Cl)C2CCC(C)(C)CC2)cc1)C(O)=O
Show InChI InChI=1S/C29H39ClO4/c1-5-29(4,27(31)32)20-21-7-10-24(11-8-21)33-17-6-18-34-26-12-9-23(19-25(26)30)22-13-15-28(2,3)16-14-22/h7-12,19,22H,5-6,13-18,20H2,1-4H3,(H,31,32)/t29-/m0/s1
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n/an/a 3.61E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50346506
PNG
(3-(4-(3-(2-chloro-4-methylphenoxy)propoxy)phenyl)p...)
Show SMILES Cc1ccc(OCCCOc2ccc(CCC(O)=O)cc2)c(Cl)c1
Show InChI InChI=1S/C19H21ClO4/c1-14-3-9-18(17(20)13-14)24-12-2-11-23-16-7-4-15(5-8-16)6-10-19(21)22/h3-5,7-9,13H,2,6,10-12H2,1H3,(H,21,22)
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n/an/a 6.44E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50179819
PNG
(2-(4-(4-(2-chloro-4-(4-fluorophenoxy)phenoxy)butox...)
Show SMILES CC(C)(Oc1ccc(OCCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C26H26ClFO6/c1-26(2,25(29)30)34-21-11-9-19(10-12-21)31-15-3-4-16-32-24-14-13-22(17-23(24)27)33-20-7-5-18(28)6-8-20/h5-14,17H,3-4,15-16H2,1-2H3,(H,29,30)
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n/an/a 7.69E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50346518
PNG
(2-(4,5-bis(4-methoxyphenyl)-1-(pyridin-2-yl)-1H-im...)
Show SMILES COc1ccc(cc1)-c1nc(SCC(O)=O)n(c1-c1ccc(OC)cc1)-c1ccccn1
Show InChI InChI=1S/C24H21N3O4S/c1-30-18-10-6-16(7-11-18)22-23(17-8-12-19(31-2)13-9-17)27(20-5-3-4-14-25-20)24(26-22)32-15-21(28)29/h3-14H,15H2,1-2H3,(H,28,29)
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n/an/an/an/a 224n/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma receptor expressed in human HepG2 cells by PPRE-luciferase reporter gene assay


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50346516
PNG
(2-(4-methyl-N-(4-(tosyloxy)phenyl)phenylsulfonamid...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)N(CC(O)=O)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C22H21NO7S2/c1-16-3-11-20(12-4-16)31(26,27)23(15-22(24)25)18-7-9-19(10-8-18)30-32(28,29)21-13-5-17(2)6-14-21/h3-14H,15H2,1-2H3,(H,24,25)
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n/an/an/an/a 15.3n/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma receptor expressed in human HepG2 cells by PPRE-luciferase reporter gene assay


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(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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Article
PubMed
n/an/an/an/a 10n/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma receptor expressed in human HepG2 cells by PPRE-luciferase reporter gene assay


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50346517
PNG
(8-(2-Carboxy-ethyl)-2,3,10,11-tetramethoxy-1,4-dih...)
Show SMILES COC1=C(Cc2c(C1)cc[n+]1c(CCC(O)=O)c3cc(OC)c(OC)cc3cc21)OC
Show InChI InChI=1S/C24H25NO6/c1-28-20-10-14-7-8-25-18(5-6-24(26)27)17-13-23(31-4)21(29-2)11-15(17)9-19(25)16(14)12-22(20)30-3/h7-9,11,13H,5-6,10,12H2,1-4H3/p+1
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n/an/an/an/a 2.20E+5n/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma receptor expressed in human HepG2 cells by PPRE-luciferase reporter gene assay


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%