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PubMed code 22934537

Compile data set for download or QSAR
Found 4 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))		BDBM50398353
PNG
(CHEMBL2178596)
Show SMILES CCC(C[C@@]1(CC)OC(=CC(=O)OC)C(CC)=C1)=CCC(C)=O |r,w:18.19,9.9,c:16|
Show InChI InChI=1S/C19H28O4/c1-6-15(10-9-14(4)20)12-19(8-3)13-16(7-2)17(23-19)11-18(21)22-5/h10-11,13H,6-9,12H2,1-5H3/t19-/m1/s1
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n/an/an/an/a 5.00E+3n/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused PPARgamma ligand binding domain transfected in human HepG2 cells by luciferase reporter gene assay

J Med Chem 55: 8303-17 (2012)


Article DOI: 10.1021/jm300911g
BindingDB Entry DOI: 10.7270/Q24F1RWG
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 100n/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused PPARgamma ligand binding domain transfected in human HepG2 cells by luciferase reporter gene assay

J Med Chem 55: 8303-17 (2012)


Article DOI: 10.1021/jm300911g
BindingDB Entry DOI: 10.7270/Q24F1RWG
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50398351
PNG
(CHEMBL2178583)
Show SMILES CC[C@H](C[C@@]1(CC)O\C(=C/C(=O)OC)C(CC)=C1)\C=C\[C@H](C)O |r,c:16|
Show InChI InChI=1S/C19H30O4/c1-6-15(10-9-14(4)20)12-19(8-3)13-16(7-2)17(23-19)11-18(21)22-5/h9-11,13-15,20H,6-8,12H2,1-5H3/b10-9+,17-11-/t14-,15-,19+/m0/s1
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n/an/an/an/a 1.00E+4n/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused PPARgamma ligand binding domain transfected in human HepG2 cells by luciferase reporter gene assay

J Med Chem 55: 8303-17 (2012)


Article DOI: 10.1021/jm300911g
BindingDB Entry DOI: 10.7270/Q24F1RWG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50398352
PNG
(CHEMBL2178586)
Show SMILES CCC(C[C@@]1(CC)OC(=O)C(CC)=C1)=CCC(C)=O |r,w:14.15,c:12|
Show InChI InChI=1S/C16H24O3/c1-5-13(9-8-12(4)17)10-16(7-3)11-14(6-2)15(18)19-16/h9,11H,5-8,10H2,1-4H3/t16-/m1/s1
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n/an/an/an/a 2.00E+3n/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused PPARgamma ligand binding domain transfected in human HepG2 cells by luciferase reporter gene assay

J Med Chem 55: 8303-17 (2012)


Article DOI: 10.1021/jm300911g
BindingDB Entry DOI: 10.7270/Q24F1RWG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%