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Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50013808   
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 gamma


(Homo sapiens (Human))
BDBM50134838
PNG
((S)-3-{4-[(E)-3-(4'-{(E)-3-[4-((S)-2-Carboxy-2-eth...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C(/C)c2ccc(cc2)-c2ccc(cc2)C(\C)=C\COc2ccc(C[C@H](OCC)C(O)=O)cc2)cc1)C(O)=O
Show InChI InChI=1S/C42H46O8/c1-5-47-39(41(43)44)27-31-7-19-37(20-8-31)49-25-23-29(3)33-11-15-35(16-12-33)36-17-13-34(14-18-36)30(4)24-26-50-38-21-9-32(10-22-38)28-40(42(45)46)48-6-2/h7-24,39-40H,5-6,25-28H2,1-4H3,(H,43,44)(H,45,46)/b29-23+,30-24+/t39-,40-/m0/s1
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n/an/an/an/a 320n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor gamma


J Med Chem 46: 4883-94 (2003)


Article DOI: 10.1021/jm0309046
BindingDB Entry DOI: 10.7270/Q2222T5V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50134839
PNG
((S)-3-{4-[(E)-5-(4-{(E)-5-[4-((S)-2-Carboxy-2-etho...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C\C#Cc2ccc(cc2)C#C\C=C\COc2ccc(C[C@H](OCC)C(O)=O)cc2)cc1)C(O)=O
Show InChI InChI=1S/C38H38O8/c1-3-43-35(37(39)40)27-31-17-21-33(22-18-31)45-25-9-5-7-11-29-13-15-30(16-14-29)12-8-6-10-26-46-34-23-19-32(20-24-34)28-36(38(41)42)44-4-2/h5-6,9-10,13-24,35-36H,3-4,25-28H2,1-2H3,(H,39,40)(H,41,42)/b9-5+,10-6+/t35-,36-/m0/s1
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n/an/an/an/a 710n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor alpha (hPPARalpha)


J Med Chem 46: 4883-94 (2003)


Article DOI: 10.1021/jm0309046
BindingDB Entry DOI: 10.7270/Q2222T5V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Rattus norvegicus)
BDBM28700
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...)
Show SMILES CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
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n/an/an/an/a 1.31E+5n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of rat Peroxisome proliferator activated receptor alpha


J Med Chem 46: 4883-94 (2003)


Article DOI: 10.1021/jm0309046
BindingDB Entry DOI: 10.7270/Q2222T5V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50134839
PNG
((S)-3-{4-[(E)-5-(4-{(E)-5-[4-((S)-2-Carboxy-2-etho...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C\C#Cc2ccc(cc2)C#C\C=C\COc2ccc(C[C@H](OCC)C(O)=O)cc2)cc1)C(O)=O
Show InChI InChI=1S/C38H38O8/c1-3-43-35(37(39)40)27-31-17-21-33(22-18-31)45-25-9-5-7-11-29-13-15-30(16-14-29)12-8-6-10-26-46-34-23-19-32(20-24-34)28-36(38(41)42)44-4-2/h5-6,9-10,13-24,35-36H,3-4,25-28H2,1-2H3,(H,39,40)(H,41,42)/b9-5+,10-6+/t35-,36-/m0/s1
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n/an/an/an/a 110n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor gamma


J Med Chem 46: 4883-94 (2003)


Article DOI: 10.1021/jm0309046
BindingDB Entry DOI: 10.7270/Q2222T5V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Rattus norvegicus)
BDBM50134840
PNG
((S)-2-Ethoxy-3-[4-((E)-5-phenyl-pent-2-en-4-ynylox...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C\C#Cc2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C22H22O4/c1-2-25-21(22(23)24)17-19-12-14-20(15-13-19)26-16-8-4-7-11-18-9-5-3-6-10-18/h3-6,8-10,12-15,21H,2,16-17H2,1H3,(H,23,24)/b8-4+/t21-/m0/s1
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n/an/an/an/a 700n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of rat Peroxisome proliferator activated receptor alpha


J Med Chem 46: 4883-94 (2003)


Article DOI: 10.1021/jm0309046
BindingDB Entry DOI: 10.7270/Q2222T5V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Rattus norvegicus)
BDBM50134838
PNG
((S)-3-{4-[(E)-3-(4'-{(E)-3-[4-((S)-2-Carboxy-2-eth...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C(/C)c2ccc(cc2)-c2ccc(cc2)C(\C)=C\COc2ccc(C[C@H](OCC)C(O)=O)cc2)cc1)C(O)=O
Show InChI InChI=1S/C42H46O8/c1-5-47-39(41(43)44)27-31-7-19-37(20-8-31)49-25-23-29(3)33-11-15-35(16-12-33)36-17-13-34(14-18-36)30(4)24-26-50-38-21-9-32(10-22-38)28-40(42(45)46)48-6-2/h7-24,39-40H,5-6,25-28H2,1-4H3,(H,43,44)(H,45,46)/b29-23+,30-24+/t39-,40-/m0/s1
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n/an/an/an/a 1.99E+4n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of rat Peroxisome proliferator activated receptor alpha


J Med Chem 46: 4883-94 (2003)


Article DOI: 10.1021/jm0309046
BindingDB Entry DOI: 10.7270/Q2222T5V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50109546
PNG
(5-[(3aS,4R,5R,6aS)-5-Hydroxy-4-((S)-3-hydroxy-oct-...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C\CCCC(O)=O
Show InChI InChI=1S/C21H34O4/c1-2-3-4-8-17(22)10-11-18-19-13-15(7-5-6-9-21(24)25)12-16(19)14-20(18)23/h7,10-11,16-20,22-23H,2-6,8-9,12-14H2,1H3,(H,24,25)/b11-10+,15-7-/t16-,17-,18+,19-,20+/m0/s1
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n/an/an/an/a 7.91E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor gamma


J Med Chem 46: 4883-94 (2003)


Article DOI: 10.1021/jm0309046
BindingDB Entry DOI: 10.7270/Q2222T5V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50134841
PNG
((S)-3-{4-[(E)-5-(3-{(E)-5-[4-((S)-2-Carboxy-2-etho...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C\C#Cc2cccc(c2)C#C\C=C\COc2ccc(C[C@H](OCC)C(O)=O)cc2)cc1)C(O)=O
Show InChI InChI=1S/C38H38O8/c1-3-43-35(37(39)40)27-31-16-20-33(21-17-31)45-24-9-5-7-12-29-14-11-15-30(26-29)13-8-6-10-25-46-34-22-18-32(19-23-34)28-36(38(41)42)44-4-2/h5-6,9-11,14-23,26,35-36H,3-4,24-25,27-28H2,1-2H3,(H,39,40)(H,41,42)/b9-5+,10-6+/t35-,36-/m0/s1
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n/an/an/an/a 1.65E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor gamma


J Med Chem 46: 4883-94 (2003)


Article DOI: 10.1021/jm0309046
BindingDB Entry DOI: 10.7270/Q2222T5V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50134842
PNG
((S)-3-[4-((E)-3-Biphenyl-4-yl-but-2-enyloxy)-pheny...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C(/C)c2ccc(cc2)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C27H28O4/c1-3-30-26(27(28)29)19-21-9-15-25(16-10-21)31-18-17-20(2)22-11-13-24(14-12-22)23-7-5-4-6-8-23/h4-17,26H,3,18-19H2,1-2H3,(H,28,29)/b20-17+/t26-/m0/s1
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n/an/an/an/a 9.55E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor delta (hPPARdelta)


J Med Chem 46: 4883-94 (2003)


Article DOI: 10.1021/jm0309046
BindingDB Entry DOI: 10.7270/Q2222T5V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM24566
PNG
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
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n/an/an/an/a 2.93E+4n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor gamma


J Med Chem 46: 4883-94 (2003)


Article DOI: 10.1021/jm0309046
BindingDB Entry DOI: 10.7270/Q2222T5V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50134841
PNG
((S)-3-{4-[(E)-5-(3-{(E)-5-[4-((S)-2-Carboxy-2-etho...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C\C#Cc2cccc(c2)C#C\C=C\COc2ccc(C[C@H](OCC)C(O)=O)cc2)cc1)C(O)=O
Show InChI InChI=1S/C38H38O8/c1-3-43-35(37(39)40)27-31-16-20-33(21-17-31)45-24-9-5-7-12-29-14-11-15-30(26-29)13-8-6-10-25-46-34-22-18-32(19-23-34)28-36(38(41)42)44-4-2/h5-6,9-11,14-23,26,35-36H,3-4,24-25,27-28H2,1-2H3,(H,39,40)(H,41,42)/b9-5+,10-6+/t35-,36-/m0/s1
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n/an/an/an/a 1.05E+4n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor delta (hPPARdelta)


J Med Chem 46: 4883-94 (2003)


Article DOI: 10.1021/jm0309046
BindingDB Entry DOI: 10.7270/Q2222T5V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM24566
PNG
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
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n/an/an/an/a 1.26E+4n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor alpha (hPPARalpha)


J Med Chem 46: 4883-94 (2003)


Article DOI: 10.1021/jm0309046
BindingDB Entry DOI: 10.7270/Q2222T5V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50134840
PNG
((S)-2-Ethoxy-3-[4-((E)-5-phenyl-pent-2-en-4-ynylox...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C\C#Cc2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C22H22O4/c1-2-25-21(22(23)24)17-19-12-14-20(15-13-19)26-16-8-4-7-11-18-9-5-3-6-10-18/h3-6,8-10,12-15,21H,2,16-17H2,1H3,(H,23,24)/b8-4+/t21-/m0/s1
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n/an/an/an/a 1.13E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor gamma


J Med Chem 46: 4883-94 (2003)


Article DOI: 10.1021/jm0309046
BindingDB Entry DOI: 10.7270/Q2222T5V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Rattus norvegicus)
BDBM50134842
PNG
((S)-3-[4-((E)-3-Biphenyl-4-yl-but-2-enyloxy)-pheny...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C(/C)c2ccc(cc2)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C27H28O4/c1-3-30-26(27(28)29)19-21-9-15-25(16-10-21)31-18-17-20(2)22-11-13-24(14-12-22)23-7-5-4-6-8-23/h4-17,26H,3,18-19H2,1-2H3,(H,28,29)/b20-17+/t26-/m0/s1
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n/an/an/an/a 1.11E+4n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of rat Peroxisome proliferator activated receptor alpha


J Med Chem 46: 4883-94 (2003)


Article DOI: 10.1021/jm0309046
BindingDB Entry DOI: 10.7270/Q2222T5V
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 160n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor gamma


J Med Chem 46: 4883-94 (2003)


Article DOI: 10.1021/jm0309046
BindingDB Entry DOI: 10.7270/Q2222T5V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50109546
PNG
(5-[(3aS,4R,5R,6aS)-5-Hydroxy-4-((S)-3-hydroxy-oct-...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C\CCCC(O)=O
Show InChI InChI=1S/C21H34O4/c1-2-3-4-8-17(22)10-11-18-19-13-15(7-5-6-9-21(24)25)12-16(19)14-20(18)23/h7,10-11,16-20,22-23H,2-6,8-9,12-14H2,1H3,(H,24,25)/b11-10+,15-7-/t16-,17-,18+,19-,20+/m0/s1
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n/an/an/an/a 960n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor alpha (hPPARalpha)


J Med Chem 46: 4883-94 (2003)


Article DOI: 10.1021/jm0309046
BindingDB Entry DOI: 10.7270/Q2222T5V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50109546
PNG
(5-[(3aS,4R,5R,6aS)-5-Hydroxy-4-((S)-3-hydroxy-oct-...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C\CCCC(O)=O
Show InChI InChI=1S/C21H34O4/c1-2-3-4-8-17(22)10-11-18-19-13-15(7-5-6-9-21(24)25)12-16(19)14-20(18)23/h7,10-11,16-20,22-23H,2-6,8-9,12-14H2,1H3,(H,24,25)/b11-10+,15-7-/t16-,17-,18+,19-,20+/m0/s1
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n/an/an/an/a 1.88E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor delta (hPPARdelta)


J Med Chem 46: 4883-94 (2003)


Article DOI: 10.1021/jm0309046
BindingDB Entry DOI: 10.7270/Q2222T5V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Rattus norvegicus)
BDBM50134839
PNG
((S)-3-{4-[(E)-5-(4-{(E)-5-[4-((S)-2-Carboxy-2-etho...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C\C#Cc2ccc(cc2)C#C\C=C\COc2ccc(C[C@H](OCC)C(O)=O)cc2)cc1)C(O)=O
Show InChI InChI=1S/C38H38O8/c1-3-43-35(37(39)40)27-31-17-21-33(22-18-31)45-25-9-5-7-11-29-13-15-30(16-14-29)12-8-6-10-26-46-34-23-19-32(20-24-34)28-36(38(41)42)44-4-2/h5-6,9-10,13-24,35-36H,3-4,25-28H2,1-2H3,(H,39,40)(H,41,42)/b9-5+,10-6+/t35-,36-/m0/s1
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n/an/an/an/a 6.30E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of rat Peroxisome proliferator activated receptor alpha


J Med Chem 46: 4883-94 (2003)


Article DOI: 10.1021/jm0309046
BindingDB Entry DOI: 10.7270/Q2222T5V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50049240
PNG
((+-)-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)m...)
Show SMILES CCc1ccc(CCOc2ccc(Cc3sc(=O)[nH]c3O)cc2)nc1
Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,22H,2,9-11H2,1H3,(H,21,23)
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n/an/an/an/a 6.68E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor alpha (hPPARalpha)


J Med Chem 46: 4883-94 (2003)


Article DOI: 10.1021/jm0309046
BindingDB Entry DOI: 10.7270/Q2222T5V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Rattus norvegicus)
BDBM50134841
PNG
((S)-3-{4-[(E)-5-(3-{(E)-5-[4-((S)-2-Carboxy-2-etho...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C\C#Cc2cccc(c2)C#C\C=C\COc2ccc(C[C@H](OCC)C(O)=O)cc2)cc1)C(O)=O
Show InChI InChI=1S/C38H38O8/c1-3-43-35(37(39)40)27-31-16-20-33(21-17-31)45-24-9-5-7-12-29-14-11-15-30(26-29)13-8-6-10-25-46-34-22-18-32(19-23-34)28-36(38(41)42)44-4-2/h5-6,9-11,14-23,26,35-36H,3-4,24-25,27-28H2,1-2H3,(H,39,40)(H,41,42)/b9-5+,10-6+/t35-,36-/m0/s1
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n/an/an/an/a 4.60E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of rat Peroxisome proliferator activated receptor alpha


J Med Chem 46: 4883-94 (2003)


Article DOI: 10.1021/jm0309046
BindingDB Entry DOI: 10.7270/Q2222T5V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50134840
PNG
((S)-2-Ethoxy-3-[4-((E)-5-phenyl-pent-2-en-4-ynylox...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C\C#Cc2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C22H22O4/c1-2-25-21(22(23)24)17-19-12-14-20(15-13-19)26-16-8-4-7-11-18-9-5-3-6-10-18/h3-6,8-10,12-15,21H,2,16-17H2,1H3,(H,23,24)/b8-4+/t21-/m0/s1
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n/an/an/an/a 67n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor alpha (hPPARalpha)


J Med Chem 46: 4883-94 (2003)


Article DOI: 10.1021/jm0309046
BindingDB Entry DOI: 10.7270/Q2222T5V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50134839
PNG
((S)-3-{4-[(E)-5-(4-{(E)-5-[4-((S)-2-Carboxy-2-etho...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C\C#Cc2ccc(cc2)C#C\C=C\COc2ccc(C[C@H](OCC)C(O)=O)cc2)cc1)C(O)=O
Show InChI InChI=1S/C38H38O8/c1-3-43-35(37(39)40)27-31-17-21-33(22-18-31)45-25-9-5-7-11-29-13-15-30(16-14-29)12-8-6-10-26-46-34-23-19-32(20-24-34)28-36(38(41)42)44-4-2/h5-6,9-10,13-24,35-36H,3-4,25-28H2,1-2H3,(H,39,40)(H,41,42)/b9-5+,10-6+/t35-,36-/m0/s1
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n/an/an/an/a 2.17E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor delta (hPPARdelta)


J Med Chem 46: 4883-94 (2003)


Article DOI: 10.1021/jm0309046
BindingDB Entry DOI: 10.7270/Q2222T5V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50134841
PNG
((S)-3-{4-[(E)-5-(3-{(E)-5-[4-((S)-2-Carboxy-2-etho...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C\C#Cc2cccc(c2)C#C\C=C\COc2ccc(C[C@H](OCC)C(O)=O)cc2)cc1)C(O)=O
Show InChI InChI=1S/C38H38O8/c1-3-43-35(37(39)40)27-31-16-20-33(21-17-31)45-24-9-5-7-12-29-14-11-15-30(26-29)13-8-6-10-25-46-34-22-18-32(19-23-34)28-36(38(41)42)44-4-2/h5-6,9-11,14-23,26,35-36H,3-4,24-25,27-28H2,1-2H3,(H,39,40)(H,41,42)/b9-5+,10-6+/t35-,36-/m0/s1
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n/an/an/an/a 300n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor alpha (hPPARalpha)


J Med Chem 46: 4883-94 (2003)


Article DOI: 10.1021/jm0309046
BindingDB Entry DOI: 10.7270/Q2222T5V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50134842
PNG
((S)-3-[4-((E)-3-Biphenyl-4-yl-but-2-enyloxy)-pheny...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C(/C)c2ccc(cc2)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C27H28O4/c1-3-30-26(27(28)29)19-21-9-15-25(16-10-21)31-18-17-20(2)22-11-13-24(14-12-22)23-7-5-4-6-8-23/h4-17,26H,3,18-19H2,1-2H3,(H,28,29)/b20-17+/t26-/m0/s1
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n/an/an/an/a 2.03E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor gamma


J Med Chem 46: 4883-94 (2003)


Article DOI: 10.1021/jm0309046
BindingDB Entry DOI: 10.7270/Q2222T5V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50134842
PNG
((S)-3-[4-((E)-3-Biphenyl-4-yl-but-2-enyloxy)-pheny...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C(/C)c2ccc(cc2)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C27H28O4/c1-3-30-26(27(28)29)19-21-9-15-25(16-10-21)31-18-17-20(2)22-11-13-24(14-12-22)23-7-5-4-6-8-23/h4-17,26H,3,18-19H2,1-2H3,(H,28,29)/b20-17+/t26-/m0/s1
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n/an/an/an/a 490n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor alpha (hPPARalpha)


J Med Chem 46: 4883-94 (2003)


Article DOI: 10.1021/jm0309046
BindingDB Entry DOI: 10.7270/Q2222T5V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50134838
PNG
((S)-3-{4-[(E)-3-(4'-{(E)-3-[4-((S)-2-Carboxy-2-eth...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C(/C)c2ccc(cc2)-c2ccc(cc2)C(\C)=C\COc2ccc(C[C@H](OCC)C(O)=O)cc2)cc1)C(O)=O
Show InChI InChI=1S/C42H46O8/c1-5-47-39(41(43)44)27-31-7-19-37(20-8-31)49-25-23-29(3)33-11-15-35(16-12-33)36-17-13-34(14-18-36)30(4)24-26-50-38-21-9-32(10-22-38)28-40(42(45)46)48-6-2/h7-24,39-40H,5-6,25-28H2,1-4H3,(H,43,44)(H,45,46)/b29-23+,30-24+/t39-,40-/m0/s1
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n/an/an/an/a 2.08E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor delta (hPPARdelta)


J Med Chem 46: 4883-94 (2003)


Article DOI: 10.1021/jm0309046
BindingDB Entry DOI: 10.7270/Q2222T5V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50049240
PNG
((+-)-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)m...)
Show SMILES CCc1ccc(CCOc2ccc(Cc3sc(=O)[nH]c3O)cc2)nc1
Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,22H,2,9-11H2,1H3,(H,21,23)
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n/an/an/an/a 970n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor gamma


J Med Chem 46: 4883-94 (2003)


Article DOI: 10.1021/jm0309046
BindingDB Entry DOI: 10.7270/Q2222T5V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50134838
PNG
((S)-3-{4-[(E)-3-(4'-{(E)-3-[4-((S)-2-Carboxy-2-eth...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C(/C)c2ccc(cc2)-c2ccc(cc2)C(\C)=C\COc2ccc(C[C@H](OCC)C(O)=O)cc2)cc1)C(O)=O
Show InChI InChI=1S/C42H46O8/c1-5-47-39(41(43)44)27-31-7-19-37(20-8-31)49-25-23-29(3)33-11-15-35(16-12-33)36-17-13-34(14-18-36)30(4)24-26-50-38-21-9-32(10-22-38)28-40(42(45)46)48-6-2/h7-24,39-40H,5-6,25-28H2,1-4H3,(H,43,44)(H,45,46)/b29-23+,30-24+/t39-,40-/m0/s1
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n/an/an/an/a 6.69E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor alpha (hPPARalpha)


J Med Chem 46: 4883-94 (2003)


Article DOI: 10.1021/jm0309046
BindingDB Entry DOI: 10.7270/Q2222T5V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Rattus norvegicus)
BDBM24566
PNG
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
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n/an/an/an/a 2.10E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of rat Peroxisome proliferator activated receptor alpha


J Med Chem 46: 4883-94 (2003)


Article DOI: 10.1021/jm0309046
BindingDB Entry DOI: 10.7270/Q2222T5V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 4.10E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor alpha (hPPARalpha)


J Med Chem 46: 4883-94 (2003)


Article DOI: 10.1021/jm0309046
BindingDB Entry DOI: 10.7270/Q2222T5V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50134840
PNG
((S)-2-Ethoxy-3-[4-((E)-5-phenyl-pent-2-en-4-ynylox...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C\C#Cc2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C22H22O4/c1-2-25-21(22(23)24)17-19-12-14-20(15-13-19)26-16-8-4-7-11-18-9-5-3-6-10-18/h3-6,8-10,12-15,21H,2,16-17H2,1H3,(H,23,24)/b8-4+/t21-/m0/s1
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n/an/an/an/a 6.90E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor delta (hPPARdelta)


J Med Chem 46: 4883-94 (2003)


Article DOI: 10.1021/jm0309046
BindingDB Entry DOI: 10.7270/Q2222T5V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM28700
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...)
Show SMILES CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
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n/an/an/an/a 3.21E+4n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor alpha (hPPARalpha)


J Med Chem 46: 4883-94 (2003)


Article DOI: 10.1021/jm0309046
BindingDB Entry DOI: 10.7270/Q2222T5V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)