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PubMed code 25462281

Compile data set for download or QSAR
Found 17 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 gamma


(Homo sapiens (Human))
BDBM50039153
PNG
(CHEMBL3355859)
Show SMILES C\C(NC(Cc1ccc(OCCOc2ccc(\C=C\c3ccccc3)cc2)cc1)C(O)=O)=C/C(=O)c1ccccc1
Show InChI InChI=1S/C35H33NO5/c1-26(24-34(37)30-10-6-3-7-11-30)36-33(35(38)39)25-29-16-20-32(21-17-29)41-23-22-40-31-18-14-28(15-19-31)13-12-27-8-4-2-5-9-27/h2-21,24,33,36H,22-23,25H2,1H3,(H,38,39)/b13-12+,26-24+
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n/an/an/an/a 12n/an/an/an/a



Universit£"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Agonist activity at human GAL4-PPARgamma ligand binding domain expressed in human HepG2 cells by luciferase reporter gene assay


Eur J Med Chem 89: 817-25 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.083
BindingDB Entry DOI: 10.7270/Q2862J2F
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50039182
PNG
(CHEMBL3355868)
Show SMILES C\C(NC(Cc1ccc(OCCCOc2ccc(cc2)\N=N\c2ccc(Cl)cc2)cc1)C(O)=O)=C/C(=O)c1ccccc1
Show InChI InChI=1S/C34H32ClN3O5/c1-24(22-33(39)26-6-3-2-4-7-26)36-32(34(40)41)23-25-8-16-30(17-9-25)42-20-5-21-43-31-18-14-29(15-19-31)38-37-28-12-10-27(35)11-13-28/h2-4,6-19,22,32,36H,5,20-21,23H2,1H3,(H,40,41)/b24-22+,38-37+
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n/an/an/an/a 47n/an/an/an/a



Universit£"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Agonist activity at human GAL4-PPARgamma ligand binding domain expressed in human HepG2 cells by luciferase reporter gene assay


Eur J Med Chem 89: 817-25 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.083
BindingDB Entry DOI: 10.7270/Q2862J2F
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50039166
PNG
(CHEMBL3355864)
Show SMILES C\C(NC(Cc1ccc(OCCOc2ccc(\C=C\c3ccc(cc3)C(F)(F)F)cc2)cc1)C(O)=O)=C/C(=O)c1ccccc1
Show InChI InChI=1S/C36H32F3NO5/c1-25(23-34(41)29-5-3-2-4-6-29)40-33(35(42)43)24-28-13-19-32(20-14-28)45-22-21-44-31-17-11-27(12-18-31)8-7-26-9-15-30(16-10-26)36(37,38)39/h2-20,23,33,40H,21-22,24H2,1H3,(H,42,43)/b8-7+,25-23+
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n/an/an/an/a 84n/an/an/an/a



Universit£"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Agonist activity at human GAL4-PPARgamma ligand binding domain expressed in human HepG2 cells by luciferase reporter gene assay


Eur J Med Chem 89: 817-25 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.083
BindingDB Entry DOI: 10.7270/Q2862J2F
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50039167
PNG
(CHEMBL3355865)
Show SMILES C\C(NC(Cc1ccc(OCCCOc2ccc(\C=C\c3ccc(cc3)C(F)(F)F)cc2)cc1)C(O)=O)=C/C(=O)c1ccccc1
Show InChI InChI=1S/C37H34F3NO5/c1-26(24-35(42)30-6-3-2-4-7-30)41-34(36(43)44)25-29-14-20-33(21-15-29)46-23-5-22-45-32-18-12-28(13-19-32)9-8-27-10-16-31(17-11-27)37(38,39)40/h2-4,6-21,24,34,41H,5,22-23,25H2,1H3,(H,43,44)/b9-8+,26-24+
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n/an/an/an/a 32n/an/an/an/a



Universit£"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Agonist activity at human GAL4-PPARgamma ligand binding domain expressed in human HepG2 cells by luciferase reporter gene assay


Eur J Med Chem 89: 817-25 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.083
BindingDB Entry DOI: 10.7270/Q2862J2F
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50039165
PNG
(CHEMBL3355863)
Show SMILES C\C(NC(Cc1ccc(OCCOc2ccc(\C=C\c3ccc(C)cc3)cc2)cc1)C(O)=O)=C/C(=O)c1ccccc1
Show InChI InChI=1S/C36H35NO5/c1-26-8-10-28(11-9-26)12-13-29-14-18-32(19-15-29)41-22-23-42-33-20-16-30(17-21-33)25-34(36(39)40)37-27(2)24-35(38)31-6-4-3-5-7-31/h3-21,24,34,37H,22-23,25H2,1-2H3,(H,39,40)/b13-12+,27-24+
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n/an/an/an/a 21n/an/an/an/a



Universit£"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Agonist activity at human GAL4-PPARgamma ligand binding domain expressed in human HepG2 cells by luciferase reporter gene assay


Eur J Med Chem 89: 817-25 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.083
BindingDB Entry DOI: 10.7270/Q2862J2F
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50039168
PNG
(CHEMBL3355866)
Show SMILES C\C(NC(Cc1ccc(OCCOc2ccc(cc2)\N=N\c2ccccc2)cc1)C(O)=O)=C/C(=O)c1ccccc1
Show InChI InChI=1S/C33H31N3O5/c1-24(22-32(37)26-8-4-2-5-9-26)34-31(33(38)39)23-25-12-16-29(17-13-25)40-20-21-41-30-18-14-28(15-19-30)36-35-27-10-6-3-7-11-27/h2-19,22,31,34H,20-21,23H2,1H3,(H,38,39)/b24-22+,36-35+
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n/an/an/an/a 183n/an/an/an/a



Universit£"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Agonist activity at human GAL4-PPARgamma ligand binding domain expressed in human HepG2 cells by luciferase reporter gene assay


Eur J Med Chem 89: 817-25 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.083
BindingDB Entry DOI: 10.7270/Q2862J2F
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50039179
PNG
(CHEMBL3352822)
Show SMILES C\C(NC(Cc1ccc(OCCOc2ccc(cc2)\N=N\c2ccc(Cl)cc2)cc1)C(O)=O)=C/C(=O)c1ccccc1
Show InChI InChI=1S/C33H30ClN3O5/c1-23(21-32(38)25-5-3-2-4-6-25)35-31(33(39)40)22-24-7-15-29(16-8-24)41-19-20-42-30-17-13-28(14-18-30)37-36-27-11-9-26(34)10-12-27/h2-18,21,31,35H,19-20,22H2,1H3,(H,39,40)/b23-21+,37-36+
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n/an/an/an/a 39n/an/an/an/a



Universit£"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Agonist activity at human GAL4-PPARgamma ligand binding domain expressed in human HepG2 cells by luciferase reporter gene assay


Eur J Med Chem 89: 817-25 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.083
BindingDB Entry DOI: 10.7270/Q2862J2F
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 1.56E+3n/an/an/an/a



Universit£"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Agonist activity at human GAL4-PPARalpha ligand binding domain expressed in human HepG2 cells by luciferase reporter gene assay


Eur J Med Chem 89: 817-25 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.083
BindingDB Entry DOI: 10.7270/Q2862J2F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50030474
PNG
(Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)
Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)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/h2-9,15H,10-12H2,1H3,(H,20,22,23)
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n/an/an/an/a 39n/an/an/an/a



Universit£"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Agonist activity at human GAL4-PPARgamma ligand binding domain expressed in human HepG2 cells by luciferase reporter gene assay


Eur J Med Chem 89: 817-25 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.083
BindingDB Entry DOI: 10.7270/Q2862J2F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50039163
PNG
(CHEMBL3355861)
Show SMILES C\C(NC(Cc1ccc(OCCOc2ccc(\C=C\c3ccc(Cl)cc3)cc2)cc1)C(O)=O)=C/C(=O)c1ccccc1
Show InChI InChI=1S/C35H32ClNO5/c1-25(23-34(38)29-5-3-2-4-6-29)37-33(35(39)40)24-28-13-19-32(20-14-28)42-22-21-41-31-17-11-27(12-18-31)8-7-26-9-15-30(36)16-10-26/h2-20,23,33,37H,21-22,24H2,1H3,(H,39,40)/b8-7+,25-23+
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n/an/an/an/a 26n/an/an/an/a



Universit£"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Agonist activity at human GAL4-PPARgamma ligand binding domain expressed in human HepG2 cells by luciferase reporter gene assay


Eur J Med Chem 89: 817-25 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.083
BindingDB Entry DOI: 10.7270/Q2862J2F
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50039325
PNG
(CHEMBL3355872)
Show SMILES OC(=O)C(Cc1ccc(OCCOc2ccc(\C=C\c3ccccc3)cc2)cc1)NC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C34H31NO5/c36-33(22-17-27-9-5-2-6-10-27)35-32(34(37)38)25-29-15-20-31(21-16-29)40-24-23-39-30-18-13-28(14-19-30)12-11-26-7-3-1-4-8-26/h1-22,32H,23-25H2,(H,35,36)(H,37,38)/b12-11+,22-17+
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n/an/an/an/a 640n/an/an/an/a



Universit£"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Agonist activity at human GAL4-PPARgamma ligand binding domain expressed in human HepG2 cells by luciferase reporter gene assay


Eur J Med Chem 89: 817-25 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.083
BindingDB Entry DOI: 10.7270/Q2862J2F
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50039159
PNG
(CHEMBL3355860)
Show SMILES C\C(NC(Cc1ccc(OCCCOc2ccc(\C=C\c3ccccc3)cc2)cc1)C(O)=O)=C/C(=O)c1ccccc1
Show InChI InChI=1S/C36H35NO5/c1-27(25-35(38)31-11-6-3-7-12-31)37-34(36(39)40)26-30-17-21-33(22-18-30)42-24-8-23-41-32-19-15-29(16-20-32)14-13-28-9-4-2-5-10-28/h2-7,9-22,25,34,37H,8,23-24,26H2,1H3,(H,39,40)/b14-13+,27-25+
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n/an/an/an/a 47n/an/an/an/a



Universit£"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Agonist activity at human GAL4-PPARgamma ligand binding domain expressed in human HepG2 cells by luciferase reporter gene assay


Eur J Med Chem 89: 817-25 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.083
BindingDB Entry DOI: 10.7270/Q2862J2F
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50039164
PNG
(CHEMBL3355862)
Show SMILES C\C(NC(Cc1ccc(OCCCOc2ccc(\C=C\c3ccc(Cl)cc3)cc2)cc1)C(O)=O)=C/C(=O)c1ccccc1
Show InChI InChI=1S/C36H34ClNO5/c1-26(24-35(39)30-6-3-2-4-7-30)38-34(36(40)41)25-29-14-20-33(21-15-29)43-23-5-22-42-32-18-12-28(13-19-32)9-8-27-10-16-31(37)17-11-27/h2-4,6-21,24,34,38H,5,22-23,25H2,1H3,(H,40,41)/b9-8+,26-24+
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n/an/an/an/a 12n/an/an/an/a



Universit£"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Agonist activity at human GAL4-PPARgamma ligand binding domain expressed in human HepG2 cells by luciferase reporter gene assay


Eur J Med Chem 89: 817-25 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.083
BindingDB Entry DOI: 10.7270/Q2862J2F
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50039255
PNG
(CHEMBL3355869)
Show SMILES C\C(NC(Cc1ccc(OCCCOc2ccc(cc2)\N=N\c2ccc(cc2)[N+]([O-])=O)cc1)C(O)=O)=C/C(=O)c1ccccc1
Show InChI InChI=1S/C34H32N4O7/c1-24(22-33(39)26-6-3-2-4-7-26)35-32(34(40)41)23-25-8-16-30(17-9-25)44-20-5-21-45-31-18-12-28(13-19-31)37-36-27-10-14-29(15-11-27)38(42)43/h2-4,6-19,22,32,35H,5,20-21,23H2,1H3,(H,40,41)/b24-22+,37-36+
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n/an/an/an/a 29n/an/an/an/a



Universit£"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Agonist activity at human GAL4-PPARgamma ligand binding domain expressed in human HepG2 cells by luciferase reporter gene assay


Eur J Med Chem 89: 817-25 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.083
BindingDB Entry DOI: 10.7270/Q2862J2F
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50039280
PNG
(CHEMBL3355871)
Show SMILES CC(=O)\C=C(/C)NC(Cc1ccc(OCCOc2ccc(\C=C\c3ccccc3)cc2)cc1)C(O)=O
Show InChI InChI=1S/C30H31NO5/c1-22(20-23(2)32)31-29(30(33)34)21-26-12-16-28(17-13-26)36-19-18-35-27-14-10-25(11-15-27)9-8-24-6-4-3-5-7-24/h3-17,20,29,31H,18-19,21H2,1-2H3,(H,33,34)/b9-8+,22-20+
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n/an/an/an/a 250n/an/an/an/a



Universit£"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Agonist activity at human GAL4-PPARgamma ligand binding domain expressed in human HepG2 cells by luciferase reporter gene assay


Eur J Med Chem 89: 817-25 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.083
BindingDB Entry DOI: 10.7270/Q2862J2F
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50039169
PNG
(CHEMBL3355867)
Show SMILES C\C(NC(Cc1ccc(OCCCOc2ccc(cc2)\N=N\c2ccccc2)cc1)C(O)=O)=C/C(=O)c1ccccc1
Show InChI InChI=1S/C34H33N3O5/c1-25(23-33(38)27-9-4-2-5-10-27)35-32(34(39)40)24-26-13-17-30(18-14-26)41-21-8-22-42-31-19-15-29(16-20-31)37-36-28-11-6-3-7-12-28/h2-7,9-20,23,32,35H,8,21-22,24H2,1H3,(H,39,40)/b25-23+,37-36+
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n/an/an/an/a 1.37E+3n/an/an/an/a



Universit£"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Agonist activity at human GAL4-PPARgamma ligand binding domain expressed in human HepG2 cells by luciferase reporter gene assay


Eur J Med Chem 89: 817-25 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.083
BindingDB Entry DOI: 10.7270/Q2862J2F
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50085041
PNG
(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Show SMILES CCCc1c(O)c(ccc1OCCCOc1ccc(OCC(O)=O)cc1)C(C)=O
Show InChI InChI=1S/C22H26O7/c1-3-5-19-20(11-10-18(15(2)23)22(19)26)28-13-4-12-27-16-6-8-17(9-7-16)29-14-21(24)25/h6-11,26H,3-5,12-14H2,1-2H3,(H,24,25)
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n/an/an/an/a 21n/an/an/an/a



Universit£"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Agonist activity at human GAL4-PPARdelta ligand binding domain expressed in human HepG2 cells by luciferase reporter gene assay


Eur J Med Chem 89: 817-25 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.083
BindingDB Entry DOI: 10.7270/Q2862J2F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%