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PubMed code 17343371

Compile data set for download or QSAR
Found 27 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 alpha


(Homo sapiens (Human))		BDBM50122347
PNG
((S)-3-{4-[3,3-Bis-(4-bromo-phenyl)-allyloxy]-pheny...)
Show SMILES [#6]-[#6]-[#8]-[#6@@H](-[#6]-c1ccc(-[#8]-[#6]\[#6]=[#6](\c2ccc(Br)cc2)-c2ccc(Br)cc2)cc1)-[#6](-[#8])=O
Show InChI InChI=1S/C26H24Br2O4/c1-2-31-25(26(29)30)17-18-3-13-23(14-4-18)32-16-15-24(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20/h3-15,25H,2,16-17H2,1H3,(H,29,30)/t25-/m0/s1
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n/an/an/an/a 390n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Activity at human liver PPAR alpha expressed in HEK293 cells by PPAR-GAL4 transactivation assay

J Med Chem 50: 1495-503 (2007)


Article DOI: 10.1021/jm061202u
BindingDB Entry DOI: 10.7270/Q2J9662B
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50207470
PNG
(CHEMBL222561 | {4-[3,3-bis-(4-bromo-phenyl)-allylo...)
Show SMILES [#8]-[#6](=O)-[#6]-c1ccc(-[#8]-[#6]\[#6]=[#6](/c2ccc(Br)cc2)-c2ccc(Br)cc2)c(Cl)c1
Show InChI InChI=1S/C23H17Br2ClO3/c24-18-6-2-16(3-7-18)20(17-4-8-19(25)9-5-17)11-12-29-22-10-1-15(13-21(22)26)14-23(27)28/h1-11,13H,12,14H2,(H,27,28)
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n/an/an/an/a 2.30E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Activity at human placenta PPAR delta expressed in HEK293 cells by PPAR-GAL4 transactivation assay

J Med Chem 50: 1495-503 (2007)


Article DOI: 10.1021/jm061202u
BindingDB Entry DOI: 10.7270/Q2J9662B
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM28661
PNG
(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)
Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Activity at human adipose tissue PPAR gamma expressed in HEK293 cells by PPAR-GAL4 transactivation assay

J Med Chem 50: 1495-503 (2007)


Article DOI: 10.1021/jm061202u
BindingDB Entry DOI: 10.7270/Q2J9662B
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 310n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Activity at human adipose tissue PPAR gamma expressed in HEK293 cells by PPAR-GAL4 transactivation assay

J Med Chem 50: 1495-503 (2007)


Article DOI: 10.1021/jm061202u
BindingDB Entry DOI: 10.7270/Q2J9662B
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50207464
PNG
(3-{4-[3,3-bis-(4-bromo-phenyl)-allyloxy]-phenyl}-p...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6]-c1ccc(-[#8]-[#6]\[#6]=[#6](/c2ccc(Br)cc2)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C24H20Br2O3/c25-20-8-4-18(5-9-20)23(19-6-10-21(26)11-7-19)15-16-29-22-12-1-17(2-13-22)3-14-24(27)28/h1-2,4-13,15H,3,14,16H2,(H,27,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Activity at human liver PPAR alpha expressed in HEK293 cells by PPAR-GAL4 transactivation assay

J Med Chem 50: 1495-503 (2007)


Article DOI: 10.1021/jm061202u
BindingDB Entry DOI: 10.7270/Q2J9662B
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50207468
PNG
(3-{3-[3,3-bis-(4-bromo-phenyl)-allyloxy]-phenyl}-p...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6]-c1cccc(-[#8]-[#6]\[#6]=[#6](/c2ccc(Br)cc2)-c2ccc(Br)cc2)c1
Show InChI InChI=1S/C24H20Br2O3/c25-20-9-5-18(6-10-20)23(19-7-11-21(26)12-8-19)14-15-29-22-3-1-2-17(16-22)4-13-24(27)28/h1-3,5-12,14,16H,4,13,15H2,(H,27,28)
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n/an/an/an/a 5.90E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Activity at human placenta PPAR delta expressed in HEK293 cells by PPAR-GAL4 transactivation assay

J Med Chem 50: 1495-503 (2007)


Article DOI: 10.1021/jm061202u
BindingDB Entry DOI: 10.7270/Q2J9662B
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)		BDBM28661
PNG
(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)
Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
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n/an/an/an/a 54n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPAR delta expressed in HEK293 cells by PPAR-GAL4 transactivation assay

J Med Chem 50: 1495-503 (2007)


Article DOI: 10.1021/jm061202u
BindingDB Entry DOI: 10.7270/Q2J9662B
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50207467
PNG
(3-{3-[3,3-bis-(4-bromo-phenyl)-allyloxy]-phenyl}-a...)
Show SMILES [#8]-[#6](=O)-[#6]-c1cccc(-[#8]-[#6]\[#6]=[#6](/c2ccc(Br)cc2)-c2ccc(Br)cc2)c1
Show InChI InChI=1S/C23H18Br2O3/c24-19-8-4-17(5-9-19)22(18-6-10-20(25)11-7-18)12-13-28-21-3-1-2-16(14-21)15-23(26)27/h1-12,14H,13,15H2,(H,26,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Activity at human adipose tissue PPAR gamma expressed in HEK293 cells by PPAR-GAL4 transactivation assay

J Med Chem 50: 1495-503 (2007)


Article DOI: 10.1021/jm061202u
BindingDB Entry DOI: 10.7270/Q2J9662B
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50207466
PNG
(CHEMBL388540 | {4-[3,3-bis-(4-bromo-phenyl)-allylo...)
Show SMILES [#8]-[#6](=O)-[#6]-c1ccc(-[#8]-[#6]\[#6]=[#6](/c2ccc(Br)cc2)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C23H18Br2O3/c24-19-7-3-17(4-8-19)22(18-5-9-20(25)10-6-18)13-14-28-21-11-1-16(2-12-21)15-23(26)27/h1-13H,14-15H2,(H,26,27)
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n/an/an/an/a 1.10E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Activity at human placenta PPAR delta expressed in HEK293 cells by PPAR-GAL4 transactivation assay

J Med Chem 50: 1495-503 (2007)


Article DOI: 10.1021/jm061202u
BindingDB Entry DOI: 10.7270/Q2J9662B
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM28661
PNG
(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)
Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
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n/an/an/an/a 7.90n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Activity at human placenta PPAR delta expressed in HEK293 cells by PPAR-GAL4 transactivation assay

J Med Chem 50: 1495-503 (2007)


Article DOI: 10.1021/jm061202u
BindingDB Entry DOI: 10.7270/Q2J9662B
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50207464
PNG
(3-{4-[3,3-bis-(4-bromo-phenyl)-allyloxy]-phenyl}-p...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6]-c1ccc(-[#8]-[#6]\[#6]=[#6](/c2ccc(Br)cc2)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C24H20Br2O3/c25-20-8-4-18(5-9-20)23(19-6-10-21(26)11-7-19)15-16-29-22-12-1-17(2-13-22)3-14-24(27)28/h1-2,4-13,15H,3,14,16H2,(H,27,28)
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n/an/an/an/a 520n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Activity at human placenta PPAR delta expressed in HEK293 cells by PPAR-GAL4 transactivation assay

J Med Chem 50: 1495-503 (2007)


Article DOI: 10.1021/jm061202u
BindingDB Entry DOI: 10.7270/Q2J9662B
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)		BDBM50207469
PNG
(CHEMBL222880 | {4-[3,3-bis-(4-bromo-phenyl)-allyls...)
Show SMILES [#8]-[#6](=O)-[#6]-[#8]-c1ccc(-[#16]-[#6]\[#6]=[#6](/c2ccc(Br)cc2)-c2ccc(Br)cc2)cc1Cl
Show InChI InChI=1S/C23H17Br2ClO3S/c24-17-5-1-15(2-6-17)20(16-3-7-18(25)8-4-16)11-12-30-19-9-10-22(21(26)13-19)29-14-23(27)28/h1-11,13H,12,14H2,(H,27,28)
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n/an/an/an/a 300n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPAR delta expressed in HEK293 cells by PPAR-GAL4 transactivation assay

J Med Chem 50: 1495-503 (2007)


Article DOI: 10.1021/jm061202u
BindingDB Entry DOI: 10.7270/Q2J9662B
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>1.00E+4n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Activity at human liver PPAR alpha expressed in HEK293 cells by PPAR-GAL4 transactivation assay

J Med Chem 50: 1495-503 (2007)


Article DOI: 10.1021/jm061202u
BindingDB Entry DOI: 10.7270/Q2J9662B
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50207469
PNG
(CHEMBL222880 | {4-[3,3-bis-(4-bromo-phenyl)-allyls...)
Show SMILES [#8]-[#6](=O)-[#6]-[#8]-c1ccc(-[#16]-[#6]\[#6]=[#6](/c2ccc(Br)cc2)-c2ccc(Br)cc2)cc1Cl
Show InChI InChI=1S/C23H17Br2ClO3S/c24-17-5-1-15(2-6-17)20(16-3-7-18(25)8-4-16)11-12-30-19-9-10-22(21(26)13-19)29-14-23(27)28/h1-11,13H,12,14H2,(H,27,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Activity at human adipose tissue PPAR gamma expressed in HEK293 cells by PPAR-GAL4 transactivation assay

J Med Chem 50: 1495-503 (2007)


Article DOI: 10.1021/jm061202u
BindingDB Entry DOI: 10.7270/Q2J9662B
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50207467
PNG
(3-{3-[3,3-bis-(4-bromo-phenyl)-allyloxy]-phenyl}-a...)
Show SMILES [#8]-[#6](=O)-[#6]-c1cccc(-[#8]-[#6]\[#6]=[#6](/c2ccc(Br)cc2)-c2ccc(Br)cc2)c1
Show InChI InChI=1S/C23H18Br2O3/c24-19-8-4-17(5-9-19)22(18-6-10-20(25)11-7-18)12-13-28-21-3-1-2-16(14-21)15-23(26)27/h1-12,14H,13,15H2,(H,26,27)
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n/an/an/an/a 830n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Activity at human placenta PPAR delta expressed in HEK293 cells by PPAR-GAL4 transactivation assay

J Med Chem 50: 1495-503 (2007)


Article DOI: 10.1021/jm061202u
BindingDB Entry DOI: 10.7270/Q2J9662B
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50207465
PNG
(CHEMBL221399 | {4-[3,3-bis-(4-bromo-phenyl)-allyls...)
Show SMILES [#6]-c1cc(-[#16]-[#6]\[#6]=[#6](/c2ccc(Br)cc2)-c2ccc(Br)cc2)ccc1-[#8]-[#6]-[#6](-[#8])=O
Show InChI InChI=1S/C24H20Br2O3S/c1-16-14-21(10-11-23(16)29-15-24(27)28)30-13-12-22(17-2-6-19(25)7-3-17)18-4-8-20(26)9-5-18/h2-12,14H,13,15H2,1H3,(H,27,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Activity at human adipose tissue PPAR gamma expressed in HEK293 cells by PPAR-GAL4 transactivation assay

J Med Chem 50: 1495-503 (2007)


Article DOI: 10.1021/jm061202u
BindingDB Entry DOI: 10.7270/Q2J9662B
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50122347
PNG
((S)-3-{4-[3,3-Bis-(4-bromo-phenyl)-allyloxy]-pheny...)
Show SMILES [#6]-[#6]-[#8]-[#6@@H](-[#6]-c1ccc(-[#8]-[#6]\[#6]=[#6](\c2ccc(Br)cc2)-c2ccc(Br)cc2)cc1)-[#6](-[#8])=O
Show InChI InChI=1S/C26H24Br2O4/c1-2-31-25(26(29)30)17-18-3-13-23(14-4-18)32-16-15-24(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20/h3-15,25H,2,16-17H2,1H3,(H,29,30)/t25-/m0/s1
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n/an/an/an/a 540n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Activity at human placenta PPAR delta expressed in HEK293 cells by PPAR-GAL4 transactivation assay

J Med Chem 50: 1495-503 (2007)


Article DOI: 10.1021/jm061202u
BindingDB Entry DOI: 10.7270/Q2J9662B
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50207465
PNG
(CHEMBL221399 | {4-[3,3-bis-(4-bromo-phenyl)-allyls...)
Show SMILES [#6]-c1cc(-[#16]-[#6]\[#6]=[#6](/c2ccc(Br)cc2)-c2ccc(Br)cc2)ccc1-[#8]-[#6]-[#6](-[#8])=O
Show InChI InChI=1S/C24H20Br2O3S/c1-16-14-21(10-11-23(16)29-15-24(27)28)30-13-12-22(17-2-6-19(25)7-3-17)18-4-8-20(26)9-5-18/h2-12,14H,13,15H2,1H3,(H,27,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Activity at human liver PPAR alpha expressed in HEK293 cells by PPAR-GAL4 transactivation assay

J Med Chem 50: 1495-503 (2007)


Article DOI: 10.1021/jm061202u
BindingDB Entry DOI: 10.7270/Q2J9662B
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50207469
PNG
(CHEMBL222880 | {4-[3,3-bis-(4-bromo-phenyl)-allyls...)
Show SMILES [#8]-[#6](=O)-[#6]-[#8]-c1ccc(-[#16]-[#6]\[#6]=[#6](/c2ccc(Br)cc2)-c2ccc(Br)cc2)cc1Cl
Show InChI InChI=1S/C23H17Br2ClO3S/c24-17-5-1-15(2-6-17)20(16-3-7-18(25)8-4-16)11-12-30-19-9-10-22(21(26)13-19)29-14-23(27)28/h1-11,13H,12,14H2,(H,27,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Activity at human liver PPAR alpha expressed in HEK293 cells by PPAR-GAL4 transactivation assay

J Med Chem 50: 1495-503 (2007)


Article DOI: 10.1021/jm061202u
BindingDB Entry DOI: 10.7270/Q2J9662B
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50122347
PNG
((S)-3-{4-[3,3-Bis-(4-bromo-phenyl)-allyloxy]-pheny...)
Show SMILES [#6]-[#6]-[#8]-[#6@@H](-[#6]-c1ccc(-[#8]-[#6]\[#6]=[#6](\c2ccc(Br)cc2)-c2ccc(Br)cc2)cc1)-[#6](-[#8])=O
Show InChI InChI=1S/C26H24Br2O4/c1-2-31-25(26(29)30)17-18-3-13-23(14-4-18)32-16-15-24(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20/h3-15,25H,2,16-17H2,1H3,(H,29,30)/t25-/m0/s1
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n/an/an/an/a 590n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Activity at human adipose tissue PPAR gamma expressed in HEK293 cells by PPAR-GAL4 transactivation assay

J Med Chem 50: 1495-503 (2007)


Article DOI: 10.1021/jm061202u
BindingDB Entry DOI: 10.7270/Q2J9662B
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM28661
PNG
(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)
Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
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n/an/an/an/a 3.90E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Activity at human liver PPAR alpha expressed in HEK293 cells by PPAR-GAL4 transactivation assay

J Med Chem 50: 1495-503 (2007)


Article DOI: 10.1021/jm061202u
BindingDB Entry DOI: 10.7270/Q2J9662B
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(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>1.00E+4n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Activity at human placenta PPAR delta expressed in HEK293 cells by PPAR-GAL4 transactivation assay

J Med Chem 50: 1495-503 (2007)


Article DOI: 10.1021/jm061202u
BindingDB Entry DOI: 10.7270/Q2J9662B
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>1.00E+4n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Activity at human liver PPAR alpha expressed in HEK293 cells by PPAR-GAL4 transactivation assay

J Med Chem 50: 1495-503 (2007)


Article DOI: 10.1021/jm061202u
BindingDB Entry DOI: 10.7270/Q2J9662B
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50207467
PNG
(3-{3-[3,3-bis-(4-bromo-phenyl)-allyloxy]-phenyl}-a...)
Show SMILES [#8]-[#6](=O)-[#6]-c1cccc(-[#8]-[#6]\[#6]=[#6](/c2ccc(Br)cc2)-c2ccc(Br)cc2)c1
Show InChI InChI=1S/C23H18Br2O3/c24-19-8-4-17(5-9-19)22(18-6-10-20(25)11-7-18)12-13-28-21-3-1-2-16(14-21)15-23(26)27/h1-12,14H,13,15H2,(H,26,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Activity at human liver PPAR alpha expressed in HEK293 cells by PPAR-GAL4 transactivation assay

J Med Chem 50: 1495-503 (2007)


Article DOI: 10.1021/jm061202u
BindingDB Entry DOI: 10.7270/Q2J9662B
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50207469
PNG
(CHEMBL222880 | {4-[3,3-bis-(4-bromo-phenyl)-allyls...)
Show SMILES [#8]-[#6](=O)-[#6]-[#8]-c1ccc(-[#16]-[#6]\[#6]=[#6](/c2ccc(Br)cc2)-c2ccc(Br)cc2)cc1Cl
Show InChI InChI=1S/C23H17Br2ClO3S/c24-17-5-1-15(2-6-17)20(16-3-7-18(25)8-4-16)11-12-30-19-9-10-22(21(26)13-19)29-14-23(27)28/h1-11,13H,12,14H2,(H,27,28)
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n/an/an/an/a 53n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Activity at human placenta PPAR delta expressed in HEK293 cells by PPAR-GAL4 transactivation assay

J Med Chem 50: 1495-503 (2007)


Article DOI: 10.1021/jm061202u
BindingDB Entry DOI: 10.7270/Q2J9662B
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50207466
PNG
(CHEMBL388540 | {4-[3,3-bis-(4-bromo-phenyl)-allylo...)
Show SMILES [#8]-[#6](=O)-[#6]-c1ccc(-[#8]-[#6]\[#6]=[#6](/c2ccc(Br)cc2)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C23H18Br2O3/c24-19-7-3-17(4-8-19)22(18-5-9-20(25)10-6-18)13-14-28-21-11-1-16(2-12-21)15-23(26)27/h1-13H,14-15H2,(H,26,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Activity at human liver PPAR alpha expressed in HEK293 cells by PPAR-GAL4 transactivation assay

J Med Chem 50: 1495-503 (2007)


Article DOI: 10.1021/jm061202u
BindingDB Entry DOI: 10.7270/Q2J9662B
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50207465
PNG
(CHEMBL221399 | {4-[3,3-bis-(4-bromo-phenyl)-allyls...)
Show SMILES [#6]-c1cc(-[#16]-[#6]\[#6]=[#6](/c2ccc(Br)cc2)-c2ccc(Br)cc2)ccc1-[#8]-[#6]-[#6](-[#8])=O
Show InChI InChI=1S/C24H20Br2O3S/c1-16-14-21(10-11-23(16)29-15-24(27)28)30-13-12-22(17-2-6-19(25)7-3-17)18-4-8-20(26)9-5-18/h2-12,14H,13,15H2,1H3,(H,27,28)
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n/an/an/an/a 17n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Activity at human placenta PPAR delta expressed in HEK293 cells by PPAR-GAL4 transactivation assay

J Med Chem 50: 1495-503 (2007)


Article DOI: 10.1021/jm061202u
BindingDB Entry DOI: 10.7270/Q2J9662B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%