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Compile Data Set for Download or QSAR

Found 163 hits with Last Name = 'lim' and Initial = 'ji'   
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 alpha


(Homo sapiens (Human))
BDBM50213177
PNG
((2S)-2-ethoxy-3-(4-(3-phenyl-3-(propylcarbamothioy...)
Show SMILES CCCNC(=S)OC(CCc1ccc(C[C@H](OCC)C(O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C24H31NO4S/c1-3-16-25-24(30)29-21(20-8-6-5-7-9-20)15-14-18-10-12-19(13-11-18)17-22(23(26)27)28-4-2/h5-13,21-22H,3-4,14-17H2,1-2H3,(H,25,30)(H,26,27)/t21?,22-/m0/s1
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n/an/an/an/a 3.94E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50213178
PNG
((2S)-3-(4-(3-((cyclohexylmethyl)carbamothioyloxy)-...)
Show SMILES CCO[C@@H](Cc1ccc(CCC(OC(=S)NCC2CCCCC2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C28H37NO4S/c1-2-32-26(27(30)31)19-22-15-13-21(14-16-22)17-18-25(24-11-7-4-8-12-24)33-28(34)29-20-23-9-5-3-6-10-23/h4,7-8,11-16,23,25-26H,2-3,5-6,9-10,17-20H2,1H3,(H,29,34)(H,30,31)/t25?,26-/m0/s1
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n/an/an/an/a 1.07E+4n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50213179
PNG
((2R)-3-(4-(3-((4-tert-butylbenzyl)carbamothioyloxy...)
Show SMILES CCO[C@H](Cc1ccc(CCC(OC(=S)NCc2ccc(cc2)C(C)(C)C)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C32H39NO4S/c1-5-36-29(30(34)35)21-24-13-11-23(12-14-24)17-20-28(26-9-7-6-8-10-26)37-31(38)33-22-25-15-18-27(19-16-25)32(2,3)4/h6-16,18-19,28-29H,5,17,20-22H2,1-4H3,(H,33,38)(H,34,35)/t28?,29-/m1/s1
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n/an/an/an/a 380n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50213180
PNG
((2S)-2-ethoxy-3-(4-(3-(ethylcarbamothioyloxy)-3-ph...)
Show SMILES CCNC(=S)OC(CCc1ccc(C[C@H](OCC)C(O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C23H29NO4S/c1-3-24-23(29)28-20(19-8-6-5-7-9-19)15-14-17-10-12-18(13-11-17)16-21(22(25)26)27-4-2/h5-13,20-21H,3-4,14-16H2,1-2H3,(H,24,29)(H,25,26)/t20?,21-/m0/s1
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n/an/an/an/a 5.39E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50213181
PNG
((2S)-2-ethoxy-3-(4-(3-hydroxy-3-phenylpropyl)pheny...)
Show SMILES CCO[C@@H](Cc1ccc(CCC(O)c2ccccc2)cc1)C(O)=O |w:11.11|
Show InChI InChI=1S/C20H24O4/c1-2-24-19(20(22)23)14-16-10-8-15(9-11-16)12-13-18(21)17-6-4-3-5-7-17/h3-11,18-19,21H,2,12-14H2,1H3,(H,22,23)/t18?,19-/m0/s1
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n/an/an/an/a 300n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50213180
PNG
((2S)-2-ethoxy-3-(4-(3-(ethylcarbamothioyloxy)-3-ph...)
Show SMILES CCNC(=S)OC(CCc1ccc(C[C@H](OCC)C(O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C23H29NO4S/c1-3-24-23(29)28-20(19-8-6-5-7-9-19)15-14-17-10-12-18(13-11-17)16-21(22(25)26)27-4-2/h5-13,20-21H,3-4,14-16H2,1-2H3,(H,24,29)(H,25,26)/t20?,21-/m0/s1
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n/an/an/an/a 2.04E+4n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50213182
PNG
((2S)-3-(4-(2-(benzylcarbamothioyloxy)-2-phenyletho...)
Show SMILES CCO[C@@H](Cc1ccc(OCC(OC(=S)NCc2ccccc2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C27H29NO5S/c1-2-31-24(26(29)30)17-20-13-15-23(16-14-20)32-19-25(22-11-7-4-8-12-22)33-27(34)28-18-21-9-5-3-6-10-21/h3-16,24-25H,2,17-19H2,1H3,(H,28,34)(H,29,30)/t24-,25?/m0/s1
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n/an/an/an/a 6.21E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(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/an/an/a 3.46E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50213177
PNG
((2S)-2-ethoxy-3-(4-(3-phenyl-3-(propylcarbamothioy...)
Show SMILES CCCNC(=S)OC(CCc1ccc(C[C@H](OCC)C(O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C24H31NO4S/c1-3-16-25-24(30)29-21(20-8-6-5-7-9-20)15-14-18-10-12-19(13-11-18)17-22(23(26)27)28-4-2/h5-13,21-22H,3-4,14-17H2,1-2H3,(H,25,30)(H,26,27)/t21?,22-/m0/s1
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n/an/an/an/a 3.48E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50213183
PNG
((2S)-3-(4-(3-(butylcarbamothioyloxy)-3-phenylpropy...)
Show SMILES CCCCNC(=S)OC(CCc1ccc(C[C@H](OCC)C(O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C25H33NO4S/c1-3-5-17-26-25(31)30-22(21-9-7-6-8-10-21)16-15-19-11-13-20(14-12-19)18-23(24(27)28)29-4-2/h6-14,22-23H,3-5,15-18H2,1-2H3,(H,26,31)(H,27,28)/t22?,23-/m0/s1
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n/an/an/an/a 3.60E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50213184
PNG
((2S)-3-(4-(3-(benzylcarbamoyloxy)-3-phenylpropyl)p...)
Show SMILES CCO[C@@H](Cc1ccc(CCC(OC(=O)NCc2ccccc2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C28H31NO5/c1-2-33-26(27(30)31)19-22-15-13-21(14-16-22)17-18-25(24-11-7-4-8-12-24)34-28(32)29-20-23-9-5-3-6-10-23/h3-16,25-26H,2,17-20H2,1H3,(H,29,32)(H,30,31)/t25?,26-/m0/s1
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n/an/an/an/a 1.42E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50213184
PNG
((2S)-3-(4-(3-(benzylcarbamoyloxy)-3-phenylpropyl)p...)
Show SMILES CCO[C@@H](Cc1ccc(CCC(OC(=O)NCc2ccccc2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C28H31NO5/c1-2-33-26(27(30)31)19-22-15-13-21(14-16-22)17-18-25(24-11-7-4-8-12-24)34-28(32)29-20-23-9-5-3-6-10-23/h3-16,25-26H,2,17-20H2,1H3,(H,29,32)(H,30,31)/t25?,26-/m0/s1
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n/an/an/an/a 6.05E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50213185
PNG
((2S)-3-(4-(3-(benzylcarbamothioyloxy)-3-phenylprop...)
Show SMILES CCO[C@@H](Cc1ccc(CCC(OC(=S)NCc2ccccc2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C28H31NO4S/c1-2-32-26(27(30)31)19-22-15-13-21(14-16-22)17-18-25(24-11-7-4-8-12-24)33-28(34)29-20-23-9-5-3-6-10-23/h3-16,25-26H,2,17-20H2,1H3,(H,29,34)(H,30,31)/t25?,26-/m0/s1
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n/an/an/an/a 580n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50213186
PNG
((2R)-3-(4-(3-(benzylcarbamothioyloxy)-3-phenylprop...)
Show SMILES CCO[C@H](Cc1ccc(CCC(OC(=S)NCc2ccccc2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C28H31NO4S/c1-2-32-26(27(30)31)19-22-15-13-21(14-16-22)17-18-25(24-11-7-4-8-12-24)33-28(34)29-20-23-9-5-3-6-10-23/h3-16,25-26H,2,17-20H2,1H3,(H,29,34)(H,30,31)/t25?,26-/m1/s1
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n/an/an/an/a 350n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50213187
PNG
((2R)-2-ethoxy-3-(4-(3-(phenethylcarbamothioyloxy)-...)
Show SMILES CCO[C@H](Cc1ccc(CCC(OC(=S)NCCc2ccccc2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C29H33NO4S/c1-2-33-27(28(31)32)21-24-15-13-23(14-16-24)17-18-26(25-11-7-4-8-12-25)34-29(35)30-20-19-22-9-5-3-6-10-22/h3-16,26-27H,2,17-21H2,1H3,(H,30,35)(H,31,32)/t26?,27-/m1/s1
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n/an/an/an/a 1.05E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50213189
PNG
((2S)-2-ethoxy-3-(4-(3-(phenethylcarbamothioyloxy)-...)
Show SMILES CCO[C@@H](Cc1ccc(CCC(OC(=S)NCCc2ccccc2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C29H33NO4S/c1-2-33-27(28(31)32)21-24-15-13-23(14-16-24)17-18-26(25-11-7-4-8-12-25)34-29(35)30-20-19-22-9-5-3-6-10-22/h3-16,26-27H,2,17-21H2,1H3,(H,30,35)(H,31,32)/t26?,27-/m0/s1
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n/an/an/an/a 490n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50110590
PNG
(2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaeure...)
Show SMILES Cc1ccc(C)c(OCCCC(C)(C)C(O)=O)c1
Show InChI InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
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n/an/an/an/a 1.48E+5n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50213188
PNG
((2S)-3-(4-(3-((4-tert-butylbenzyl)carbamothioyloxy...)
Show SMILES CCO[C@@H](Cc1ccc(CCC(OC(=S)NCc2ccc(cc2)C(C)(C)C)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C32H39NO4S/c1-5-36-29(30(34)35)21-24-13-11-23(12-14-24)17-20-28(26-9-7-6-8-10-26)37-31(38)33-22-25-15-18-27(19-16-25)32(2,3)4/h6-16,18-19,28-29H,5,17,20-22H2,1-4H3,(H,33,38)(H,34,35)/t28?,29-/m0/s1
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n/an/an/an/a 160n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50213185
PNG
((2S)-3-(4-(3-(benzylcarbamothioyloxy)-3-phenylprop...)
Show SMILES CCO[C@@H](Cc1ccc(CCC(OC(=S)NCc2ccccc2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C28H31NO4S/c1-2-32-26(27(30)31)19-22-15-13-21(14-16-22)17-18-25(24-11-7-4-8-12-24)33-28(34)29-20-23-9-5-3-6-10-23/h3-16,25-26H,2,17-20H2,1H3,(H,29,34)(H,30,31)/t25?,26-/m0/s1
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n/an/an/an/a 70n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50213190
PNG
((2S)-2-ethoxy-3-(4-(3-phenyl-3-(phenylcarbamothioy...)
Show SMILES CCO[C@@H](Cc1ccc(CCC(OC(=S)Nc2ccccc2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C27H29NO4S/c1-2-31-25(26(29)30)19-21-15-13-20(14-16-21)17-18-24(22-9-5-3-6-10-22)32-27(33)28-23-11-7-4-8-12-23/h3-16,24-25H,2,17-19H2,1H3,(H,28,33)(H,29,30)/t24?,25-/m0/s1
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n/an/an/an/a 5.25E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50213183
PNG
((2S)-3-(4-(3-(butylcarbamothioyloxy)-3-phenylpropy...)
Show SMILES CCCCNC(=S)OC(CCc1ccc(C[C@H](OCC)C(O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C25H33NO4S/c1-3-5-17-26-25(31)30-22(21-9-7-6-8-10-21)16-15-19-11-13-20(14-12-19)18-23(24(27)28)29-4-2/h6-14,22-23H,3-5,15-18H2,1-2H3,(H,26,31)(H,27,28)/t22?,23-/m0/s1
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n/an/an/an/a 7.26E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50213182
PNG
((2S)-3-(4-(2-(benzylcarbamothioyloxy)-2-phenyletho...)
Show SMILES CCO[C@@H](Cc1ccc(OCC(OC(=S)NCc2ccccc2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C27H29NO5S/c1-2-31-24(26(29)30)17-20-13-15-23(16-14-20)32-19-25(22-11-7-4-8-12-22)33-27(34)28-18-21-9-5-3-6-10-21/h3-16,24-25H,2,17-19H2,1H3,(H,28,34)(H,29,30)/t24-,25?/m0/s1
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n/an/an/an/a 7.17E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50213179
PNG
((2R)-3-(4-(3-((4-tert-butylbenzyl)carbamothioyloxy...)
Show SMILES CCO[C@H](Cc1ccc(CCC(OC(=S)NCc2ccc(cc2)C(C)(C)C)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C32H39NO4S/c1-5-36-29(30(34)35)21-24-13-11-23(12-14-24)17-20-28(26-9-7-6-8-10-26)37-31(38)33-22-25-15-18-27(19-16-25)32(2,3)4/h6-16,18-19,28-29H,5,17,20-22H2,1-4H3,(H,33,38)(H,34,35)/t28?,29-/m1/s1
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n/an/an/an/a 140n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50213191
PNG
((S)-3-(4-(3-(benzylcarbamothioyloxy)propyl)phenyl)...)
Show SMILES CCO[C@@H](Cc1ccc(CCCOC(=S)NCc2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C22H27NO4S/c1-2-26-20(21(24)25)15-18-12-10-17(11-13-18)9-6-14-27-22(28)23-16-19-7-4-3-5-8-19/h3-5,7-8,10-13,20H,2,6,9,14-16H2,1H3,(H,23,28)(H,24,25)/t20-/m0/s1
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n/an/an/an/a 1.40E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
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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n/an/an/an/a 30n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50213188
PNG
((2S)-3-(4-(3-((4-tert-butylbenzyl)carbamothioyloxy...)
Show SMILES CCO[C@@H](Cc1ccc(CCC(OC(=S)NCc2ccc(cc2)C(C)(C)C)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C32H39NO4S/c1-5-36-29(30(34)35)21-24-13-11-23(12-14-24)17-20-28(26-9-7-6-8-10-26)37-31(38)33-22-25-15-18-27(19-16-25)32(2,3)4/h6-16,18-19,28-29H,5,17,20-22H2,1-4H3,(H,33,38)(H,34,35)/t28?,29-/m0/s1
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n/an/an/an/a 3.27E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50110590
PNG
(2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaeure...)
Show SMILES Cc1ccc(C)c(OCCCC(C)(C)C(O)=O)c1
Show InChI InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
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n/an/an/an/a 1.93E+5n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50213178
PNG
((2S)-3-(4-(3-((cyclohexylmethyl)carbamothioyloxy)-...)
Show SMILES CCO[C@@H](Cc1ccc(CCC(OC(=S)NCC2CCCCC2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C28H37NO4S/c1-2-32-26(27(30)31)19-22-15-13-21(14-16-22)17-18-25(24-11-7-4-8-12-24)33-28(34)29-20-23-9-5-3-6-10-23/h4,7-8,11-16,23,25-26H,2-3,5-6,9-10,17-20H2,1H3,(H,29,34)(H,30,31)/t25?,26-/m0/s1
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n/an/an/an/a 1.06E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50213186
PNG
((2R)-3-(4-(3-(benzylcarbamothioyloxy)-3-phenylprop...)
Show SMILES CCO[C@H](Cc1ccc(CCC(OC(=S)NCc2ccccc2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C28H31NO4S/c1-2-32-26(27(30)31)19-22-15-13-21(14-16-22)17-18-25(24-11-7-4-8-12-24)33-28(34)29-20-23-9-5-3-6-10-23/h3-16,25-26H,2,17-20H2,1H3,(H,29,34)(H,30,31)/t25?,26-/m1/s1
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n/an/an/an/a 260n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50213190
PNG
((2S)-2-ethoxy-3-(4-(3-phenyl-3-(phenylcarbamothioy...)
Show SMILES CCO[C@@H](Cc1ccc(CCC(OC(=S)Nc2ccccc2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C27H29NO4S/c1-2-31-25(26(29)30)19-21-15-13-20(14-16-21)17-18-24(22-9-5-3-6-10-22)32-27(33)28-23-11-7-4-8-12-23/h3-16,24-25H,2,17-19H2,1H3,(H,28,33)(H,29,30)/t24?,25-/m0/s1
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n/an/an/an/a 4.58E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50213191
PNG
((S)-3-(4-(3-(benzylcarbamothioyloxy)propyl)phenyl)...)
Show SMILES CCO[C@@H](Cc1ccc(CCCOC(=S)NCc2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C22H27NO4S/c1-2-26-20(21(24)25)15-18-12-10-17(11-13-18)9-6-14-27-22(28)23-16-19-7-4-3-5-8-19/h3-5,7-8,10-13,20H,2,6,9,14-16H2,1H3,(H,23,28)(H,24,25)/t20-/m0/s1
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n/an/an/an/a 1.47E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50213181
PNG
((2S)-2-ethoxy-3-(4-(3-hydroxy-3-phenylpropyl)pheny...)
Show SMILES CCO[C@@H](Cc1ccc(CCC(O)c2ccccc2)cc1)C(O)=O |w:11.11|
Show InChI InChI=1S/C20H24O4/c1-2-24-19(20(22)23)14-16-10-8-15(9-11-16)12-13-18(21)17-6-4-3-5-7-17/h3-11,18-19,21H,2,12-14H2,1H3,(H,22,23)/t18?,19-/m0/s1
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n/an/an/an/a 1.51E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50213189
PNG
((2S)-2-ethoxy-3-(4-(3-(phenethylcarbamothioyloxy)-...)
Show SMILES CCO[C@@H](Cc1ccc(CCC(OC(=S)NCCc2ccccc2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C29H33NO4S/c1-2-33-27(28(31)32)21-24-15-13-23(14-16-24)17-18-26(25-11-7-4-8-12-25)34-29(35)30-20-19-22-9-5-3-6-10-22/h3-16,26-27H,2,17-21H2,1H3,(H,30,35)(H,31,32)/t26?,27-/m0/s1
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n/an/an/an/a 880n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50213187
PNG
((2R)-2-ethoxy-3-(4-(3-(phenethylcarbamothioyloxy)-...)
Show SMILES CCO[C@H](Cc1ccc(CCC(OC(=S)NCCc2ccccc2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C29H33NO4S/c1-2-33-27(28(31)32)21-24-15-13-23(14-16-24)17-18-26(25-11-7-4-8-12-25)34-29(35)30-20-19-22-9-5-3-6-10-22/h3-16,26-27H,2,17-21H2,1H3,(H,30,35)(H,31,32)/t26?,27-/m1/s1
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n/an/an/an/a 2.77E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50263750
PNG
(2-ethoxy-3-(4-(2-(4-(2-methoxyphenyl)-5,6-dihydrop...)
Show SMILES CCOC(Cc1ccc(OCCN2CCC(=CC2)c2ccccc2OC)cc1)C(O)=O |c:15|
Show InChI InChI=1S/C25H31NO5/c1-3-30-24(25(27)28)18-19-8-10-21(11-9-19)31-17-16-26-14-12-20(13-15-26)22-6-4-5-7-23(22)29-2/h4-12,24H,3,13-18H2,1-2H3,(H,27,28)
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n/an/an/an/a 3.93E+3n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in african green monkey CV-1 cotransfected with GAL4 by by dual-glo luciferase reporter gene assay


Bioorg Med Chem Lett 18: 4993-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.020
BindingDB Entry DOI: 10.7270/Q25B029G
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50263796
PNG
(2-ethoxy-3-(4-(2-(4-(4-ethylphenyl)-5,6-dihydropyr...)
Show SMILES CCOC(Cc1ccc(OCCN2CCC(=CC2)c2ccc(CC)cc2)cc1)C(O)=O |c:15|
Show InChI InChI=1S/C26H33NO4/c1-3-20-5-9-22(10-6-20)23-13-15-27(16-14-23)17-18-31-24-11-7-21(8-12-24)19-25(26(28)29)30-4-2/h5-13,25H,3-4,14-19H2,1-2H3,(H,28,29)
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n/an/an/an/a 689n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in african green monkey CV-1 cotransfected with GAL4 by by dual-glo luciferase reporter gene assay


Bioorg Med Chem Lett 18: 4993-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.020
BindingDB Entry DOI: 10.7270/Q25B029G
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50263797
PNG
(2-ethoxy-3-(4-(2-(4-(4-propylphenyl)-5,6-dihydropy...)
Show SMILES CCCc1ccc(cc1)C1=CCN(CCOc2ccc(CC(OCC)C(O)=O)cc2)CC1 |t:10|
Show InChI InChI=1S/C27H35NO4/c1-3-5-21-6-10-23(11-7-21)24-14-16-28(17-15-24)18-19-32-25-12-8-22(9-13-25)20-26(27(29)30)31-4-2/h6-14,26H,3-5,15-20H2,1-2H3,(H,29,30)
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n/an/an/an/a 174n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in african green monkey CV-1 cotransfected with GAL4 by by dual-glo luciferase reporter gene assay


Bioorg Med Chem Lett 18: 4993-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.020
BindingDB Entry DOI: 10.7270/Q25B029G
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50263798
PNG
(3-(4-(2-(4-(2,3-dichlorophenyl)-5,6-dihydropyridin...)
Show SMILES CCOC(Cc1ccc(OCCN2CCC(=CC2)c2cccc(Cl)c2Cl)cc1)C(O)=O |c:15|
Show InChI InChI=1S/C24H27Cl2NO4/c1-2-30-22(24(28)29)16-17-6-8-19(9-7-17)31-15-14-27-12-10-18(11-13-27)20-4-3-5-21(25)23(20)26/h3-10,22H,2,11-16H2,1H3,(H,28,29)
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n/an/an/an/a 661n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in african green monkey CV-1 cotransfected with GAL4 by by dual-glo luciferase reporter gene assay


Bioorg Med Chem Lett 18: 4993-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.020
BindingDB Entry DOI: 10.7270/Q25B029G
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50263799
PNG
(3-(4-(2-(4-(2,4-dichlorophenyl)-5,6-dihydropyridin...)
Show SMILES CCOC(Cc1ccc(OCCN2CCC(=CC2)c2ccc(Cl)cc2Cl)cc1)C(O)=O |c:15|
Show InChI InChI=1S/C24H27Cl2NO4/c1-2-30-23(24(28)29)15-17-3-6-20(7-4-17)31-14-13-27-11-9-18(10-12-27)21-8-5-19(25)16-22(21)26/h3-9,16,23H,2,10-15H2,1H3,(H,28,29)
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n/an/an/an/a 706n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in african green monkey CV-1 cotransfected with GAL4 by by dual-glo luciferase reporter gene assay


Bioorg Med Chem Lett 18: 4993-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.020
BindingDB Entry DOI: 10.7270/Q25B029G
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50263847
PNG
(3-(4-(2-(4-(2,5-dichlorophenyl)-5,6-dihydropyridin...)
Show SMILES CCOC(Cc1ccc(OCCN2CCC(=CC2)c2cc(Cl)ccc2Cl)cc1)C(O)=O |c:15|
Show InChI InChI=1S/C24H27Cl2NO4/c1-2-30-23(24(28)29)15-17-3-6-20(7-4-17)31-14-13-27-11-9-18(10-12-27)21-16-19(25)5-8-22(21)26/h3-9,16,23H,2,10-15H2,1H3,(H,28,29)
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n/an/an/an/a 1.44E+3n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in african green monkey CV-1 cotransfected with GAL4 by by dual-glo luciferase reporter gene assay


Bioorg Med Chem Lett 18: 4993-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.020
BindingDB Entry DOI: 10.7270/Q25B029G
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50263848
PNG
(3-(4-(2-(4-(3,4-dichlorophenyl)-5,6-dihydropyridin...)
Show SMILES CCOC(Cc1ccc(OCCN2CCC(=CC2)c2ccc(Cl)c(Cl)c2)cc1)C(O)=O |c:15|
Show InChI InChI=1S/C24H27Cl2NO4/c1-2-30-23(24(28)29)15-17-3-6-20(7-4-17)31-14-13-27-11-9-18(10-12-27)19-5-8-21(25)22(26)16-19/h3-9,16,23H,2,10-15H2,1H3,(H,28,29)
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n/an/an/an/a 670n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in african green monkey CV-1 cotransfected with GAL4 by by dual-glo luciferase reporter gene assay


Bioorg Med Chem Lett 18: 4993-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.020
BindingDB Entry DOI: 10.7270/Q25B029G
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50263849
PNG
((S)-3-(4-(2-(4-(3,4-dichlorophenyl)-5,6-dihydropyr...)
Show SMILES CCO[C@@H](Cc1ccc(OCCN2CCC(=CC2)c2ccc(Cl)c(Cl)c2)cc1)C(O)=O |r,c:15|
Show InChI InChI=1S/C24H27Cl2NO4/c1-2-30-23(24(28)29)15-17-3-6-20(7-4-17)31-14-13-27-11-9-18(10-12-27)19-5-8-21(25)22(26)16-19/h3-9,16,23H,2,10-15H2,1H3,(H,28,29)/t23-/m0/s1
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n/an/an/an/a 862n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in african green monkey CV-1 cotransfected with GAL4 by by dual-glo luciferase reporter gene assay


Bioorg Med Chem Lett 18: 4993-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.020
BindingDB Entry DOI: 10.7270/Q25B029G
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50263850
PNG
(3-(4-(2-(4-(3,5-dichlorophenyl)-5,6-dihydropyridin...)
Show SMILES CCOC(Cc1ccc(OCCN2CCC(=CC2)c2cc(Cl)cc(Cl)c2)cc1)C(O)=O |c:15|
Show InChI InChI=1S/C24H27Cl2NO4/c1-2-30-23(24(28)29)13-17-3-5-22(6-4-17)31-12-11-27-9-7-18(8-10-27)19-14-20(25)16-21(26)15-19/h3-7,14-16,23H,2,8-13H2,1H3,(H,28,29)
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n/an/an/an/a 1.42E+3n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in african green monkey CV-1 cotransfected with GAL4 by by dual-glo luciferase reporter gene assay


Bioorg Med Chem Lett 18: 4993-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.020
BindingDB Entry DOI: 10.7270/Q25B029G
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50263901
PNG
(2-ethoxy-3-(4-(2-(4-(pyridin-2-yl)-5,6-dihydropyri...)
Show SMILES CCOC(Cc1ccc(OCCN2CCC(=CC2)c2ccccn2)cc1)C(O)=O |c:15|
Show InChI InChI=1S/C23H28N2O4/c1-2-28-22(23(26)27)17-18-6-8-20(9-7-18)29-16-15-25-13-10-19(11-14-25)21-5-3-4-12-24-21/h3-10,12,22H,2,11,13-17H2,1H3,(H,26,27)
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n/an/an/an/a 2.30E+3n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in african green monkey CV-1 cotransfected with GAL4 by by dual-glo luciferase reporter gene assay


Bioorg Med Chem Lett 18: 4993-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.020
BindingDB Entry DOI: 10.7270/Q25B029G
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50263902
PNG
(2-ethoxy-3-(4-(2-(4-(thiophen-2-yl)-5,6-dihydropyr...)
Show SMILES CCOC(Cc1ccc(OCCN2CCC(=CC2)c2cccs2)cc1)C(O)=O |c:15|
Show InChI InChI=1S/C22H27NO4S/c1-2-26-20(22(24)25)16-17-5-7-19(8-6-17)27-14-13-23-11-9-18(10-12-23)21-4-3-15-28-21/h3-9,15,20H,2,10-14,16H2,1H3,(H,24,25)
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n/an/an/an/a 3.30E+3n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in african green monkey CV-1 cotransfected with GAL4 by by dual-glo luciferase reporter gene assay


Bioorg Med Chem Lett 18: 4993-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.020
BindingDB Entry DOI: 10.7270/Q25B029G
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50263903
PNG
(2-ethoxy-3-(4-(2-(4-(pyrazin-2-yl)-5,6-dihydropyri...)
Show SMILES CCOC(Cc1ccc(OCCN2CCC(=CC2)c2cnccn2)cc1)C(O)=O |c:15|
Show InChI InChI=1S/C22H27N3O4/c1-2-28-21(22(26)27)15-17-3-5-19(6-4-17)29-14-13-25-11-7-18(8-12-25)20-16-23-9-10-24-20/h3-7,9-10,16,21H,2,8,11-15H2,1H3,(H,26,27)
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n/an/an/an/a 1.26E+4n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in african green monkey CV-1 cotransfected with GAL4 by by dual-glo luciferase reporter gene assay


Bioorg Med Chem Lett 18: 4993-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.020
BindingDB Entry DOI: 10.7270/Q25B029G
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50263904
PNG
(2-ethoxy-3-(4-(2-(4-(pyrimidin-2-yl)-5,6-dihydropy...)
Show SMILES CCOC(Cc1ccc(OCCN2CCC(=CC2)c2ncccn2)cc1)C(O)=O |c:15|
Show InChI InChI=1S/C22H27N3O4/c1-2-28-20(22(26)27)16-17-4-6-19(7-5-17)29-15-14-25-12-8-18(9-13-25)21-23-10-3-11-24-21/h3-8,10-11,20H,2,9,12-16H2,1H3,(H,26,27)
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n/an/an/an/a 4.60E+3n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in african green monkey CV-1 cotransfected with GAL4 by by dual-glo luciferase reporter gene assay


Bioorg Med Chem Lett 18: 4993-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.020
BindingDB Entry DOI: 10.7270/Q25B029G
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50263905
PNG
(3-(4-(3-(4-(4-chlorophenyl)-5,6-dihydropyridin-1(2...)
Show SMILES CCOC(Cc1ccc(OCCCN2CCC(=CC2)c2ccc(Cl)cc2)cc1)C(O)=O |c:16|
Show InChI InChI=1S/C25H30ClNO4/c1-2-30-24(25(28)29)18-19-4-10-23(11-5-19)31-17-3-14-27-15-12-21(13-16-27)20-6-8-22(26)9-7-20/h4-12,24H,2-3,13-18H2,1H3,(H,28,29)
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n/an/an/an/a 2.32E+3n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in african green monkey CV-1 cotransfected with GAL4 by by dual-glo luciferase reporter gene assay


Bioorg Med Chem Lett 18: 4993-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.020
BindingDB Entry DOI: 10.7270/Q25B029G
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50263953
PNG
(2-ethoxy-3-(4-(3-(4-(4-(trifluoromethyl)phenyl)-5,...)
Show SMILES CCOC(Cc1ccc(OCCCN2CCC(=CC2)c2ccc(cc2)C(F)(F)F)cc1)C(O)=O |c:16|
Show InChI InChI=1S/C26H30F3NO4/c1-2-33-24(25(31)32)18-19-4-10-23(11-5-19)34-17-3-14-30-15-12-21(13-16-30)20-6-8-22(9-7-20)26(27,28)29/h4-12,24H,2-3,13-18H2,1H3,(H,31,32)
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n/an/an/an/a 504n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in african green monkey CV-1 cotransfected with GAL4 by by dual-glo luciferase reporter gene assay


Bioorg Med Chem Lett 18: 4993-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.020
BindingDB Entry DOI: 10.7270/Q25B029G
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50263954
PNG
(3-(4-(3-(4-(3,4-dichlorophenyl)-5,6-dihydropyridin...)
Show SMILES CCOC(Cc1ccc(OCCCN2CCC(=CC2)c2ccc(Cl)c(Cl)c2)cc1)C(O)=O |c:16|
Show InChI InChI=1S/C25H29Cl2NO4/c1-2-31-24(25(29)30)16-18-4-7-21(8-5-18)32-15-3-12-28-13-10-19(11-14-28)20-6-9-22(26)23(27)17-20/h4-10,17,24H,2-3,11-16H2,1H3,(H,29,30)
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n/an/an/an/a 728n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in african green monkey CV-1 cotransfected with GAL4 by by dual-glo luciferase reporter gene assay


Bioorg Med Chem Lett 18: 4993-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.020
BindingDB Entry DOI: 10.7270/Q25B029G
More data for this
Ligand-Target Pair
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