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PubMed code 16854085

Compile data set for download or QSAR
Found 11 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


(Homo sapiens (human))
BDBM50191606
PNG
(1-hydroxyimino-6-methoxy-3-phenyl-1H-indene-2-carb...)
Show SMILES CCOC(=O)C1=C(c2ccc(OC)cc2C1N=O)c1ccccc1
Show InChI InChI=1S/C19H17NO4/c1-3-24-19(21)17-16(12-7-5-4-6-8-12)14-10-9-13(23-2)11-15(14)18(17)20-22/h4-11,18H,3H2,1-2H3
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PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Activity at human PPAR gamma transfected in NIH3T3 cells by luciferase activity assay


J Med Chem 49: 4781-4 (2006)


Article DOI: 10.1021/jm060389m
BindingDB Entry DOI: 10.7270/Q22F7N3K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50191607
PNG
(3-adamantan-1-yl-6-methoxy-1-oxo-1H-indene-2-carbo...)
Show SMILES CCOC(=O)C1=C(c2ccc(OC)cc2C1=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H26O4/c1-3-27-22(25)19-20(17-5-4-16(26-2)9-18(17)21(19)24)23-10-13-6-14(11-23)8-15(7-13)12-23/h4-5,9,13-15H,3,6-8,10-12H2,1-2H3
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n/an/an/an/a 2.50E+3n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Activity at human PPAR gamma transfected in NIH3T3 cells by luciferase activity assay


J Med Chem 49: 4781-4 (2006)


Article DOI: 10.1021/jm060389m
BindingDB Entry DOI: 10.7270/Q22F7N3K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50191605
PNG
(6-methoxy-1-oxo-3-phenyl-1H-indene-2-carboxylic ac...)
Show SMILES CCOC(=O)C1=C(c2ccc(OC)cc2C1=O)c1ccccc1
Show InChI InChI=1S/C19H16O4/c1-3-23-19(21)17-16(12-7-5-4-6-8-12)14-10-9-13(22-2)11-15(14)18(17)20/h4-11H,3H2,1-2H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Activity at human PPAR alpha


J Med Chem 49: 4781-4 (2006)


Article DOI: 10.1021/jm060389m
BindingDB Entry DOI: 10.7270/Q22F7N3K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50191605
PNG
(6-methoxy-1-oxo-3-phenyl-1H-indene-2-carboxylic ac...)
Show SMILES CCOC(=O)C1=C(c2ccc(OC)cc2C1=O)c1ccccc1
Show InChI InChI=1S/C19H16O4/c1-3-23-19(21)17-16(12-7-5-4-6-8-12)14-10-9-13(22-2)11-15(14)18(17)20/h4-11H,3H2,1-2H3
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n/an/an/an/a 300n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Activity at human PPAR gamma transfected in NIH3T3 cells by luciferase activity assay


J Med Chem 49: 4781-4 (2006)


Article DOI: 10.1021/jm060389m
BindingDB Entry DOI: 10.7270/Q22F7N3K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50191609
PNG
(3-furan-3-yl-6-methoxy-1-oxo-1H-indene-2-carboxyli...)
Show SMILES CCOC(=O)C1=C(c2ccoc2)c2ccc(OC)cc2C1=O
Show InChI InChI=1S/C17H14O5/c1-3-22-17(19)15-14(10-6-7-21-9-10)12-5-4-11(20-2)8-13(12)16(15)18/h4-9H,3H2,1-2H3
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n/an/an/an/a 1.00E+3n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Activity at human PPAR gamma transfected in NIH3T3 cells by luciferase activity assay


J Med Chem 49: 4781-4 (2006)


Article DOI: 10.1021/jm060389m
BindingDB Entry DOI: 10.7270/Q22F7N3K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50191610
PNG
(6-benzyloxy-1-oxo-3-phenyl-1H-indene-2-carboxylic ...)
Show SMILES CCOC(=O)C1=C(c2ccc(OCc3ccccc3)cc2C1=O)c1ccccc1
Show InChI InChI=1S/C25H20O4/c1-2-28-25(27)23-22(18-11-7-4-8-12-18)20-14-13-19(15-21(20)24(23)26)29-16-17-9-5-3-6-10-17/h3-15H,2,16H2,1H3
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n/an/an/an/a 220n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Activity at human PPAR gamma transfected in NIH3T3 cells by luciferase activity assay


J Med Chem 49: 4781-4 (2006)


Article DOI: 10.1021/jm060389m
BindingDB Entry DOI: 10.7270/Q22F7N3K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50191611
PNG
((6-methoxy-1-oxo-3-phenyl-1H-inden-2-yl)acetic aci...)
Show SMILES CCOC(=O)CC1=C(c2ccc(OC)cc2C1=O)c1ccccc1
Show InChI InChI=1S/C20H18O4/c1-3-24-18(21)12-17-19(13-7-5-4-6-8-13)15-10-9-14(23-2)11-16(15)20(17)22/h4-11H,3,12H2,1-2H3
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n/an/an/an/a 300n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Activity at human PPAR gamma transfected in NIH3T3 cells by luciferase activity assay


J Med Chem 49: 4781-4 (2006)


Article DOI: 10.1021/jm060389m
BindingDB Entry DOI: 10.7270/Q22F7N3K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50191604
PNG
(6-methoxy-3-phenyl-1H-indene-2-carboxylic acid eth...)
Show SMILES CCOC(=O)C1=C(c2ccc(OC)cc2C1)c1ccccc1
Show InChI InChI=1S/C19H18O3/c1-3-22-19(20)17-12-14-11-15(21-2)9-10-16(14)18(17)13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Activity at human PPAR gamma transfected in NIH3T3 cells by luciferase activity assay


J Med Chem 49: 4781-4 (2006)


Article DOI: 10.1021/jm060389m
BindingDB Entry DOI: 10.7270/Q22F7N3K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50191608
PNG
(1-oxo-6-phenethyloxy-3-phenyl-1H-indene-2-carboxyl...)
Show SMILES CCOC(=O)C1=C(c2ccc(OCCc3ccccc3)cc2C1=O)c1ccccc1
Show InChI InChI=1S/C26H22O4/c1-2-29-26(28)24-23(19-11-7-4-8-12-19)21-14-13-20(17-22(21)25(24)27)30-16-15-18-9-5-3-6-10-18/h3-14,17H,2,15-16H2,1H3
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n/an/an/an/a 210n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Activity at human PPAR gamma transfected in NIH3T3 cells by luciferase activity assay


J Med Chem 49: 4781-4 (2006)


Article DOI: 10.1021/jm060389m
BindingDB Entry DOI: 10.7270/Q22F7N3K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(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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PubMed
n/an/an/an/a 320n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Activity at human PPAR gamma transfected in NIH3T3 cells by luciferase activity assay


J Med Chem 49: 4781-4 (2006)


Article DOI: 10.1021/jm060389m
BindingDB Entry DOI: 10.7270/Q22F7N3K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50191612
PNG
(1-oxo-3-phenyl-6-(3-phenylpropoxy)-1H-indene-2-car...)
Show SMILES CCOC(=O)C1=C(c2ccc(OCCCc3ccccc3)cc2C1=O)c1ccccc1
Show InChI InChI=1S/C27H24O4/c1-2-30-27(29)25-24(20-13-7-4-8-14-20)22-16-15-21(18-23(22)26(25)28)31-17-9-12-19-10-5-3-6-11-19/h3-8,10-11,13-16,18H,2,9,12,17H2,1H3
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n/an/an/an/a 50n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Activity at human PPAR gamma transfected in NIH3T3 cells by luciferase activity assay


J Med Chem 49: 4781-4 (2006)


Article DOI: 10.1021/jm060389m
BindingDB Entry DOI: 10.7270/Q22F7N3K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%