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PubMed code 17624777

Compile data set for download or QSAR
Found 31 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))
BDBM50217855
PNG
(CHEMBL249442 | ethyl 3-(4-chlorophenyl)-1-(methyln...)
Show SMILES CCOC(=O)c1c(-c2ccc(Cl)cc2)c2ccc(OCCCc3ccccc3)cc2[c-]1[N+](C)=O
Show InChI InChI=1S/C28H26ClNO4/c1-3-33-28(31)26-25(20-11-13-21(29)14-12-20)23-16-15-22(18-24(23)27(26)30(2)32)34-17-7-10-19-8-5-4-6-9-19/h4-6,8-9,11-16,18H,3,7,10,17H2,1-2H3/b30-27+
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PubMed
n/an/an/an/a 70n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in NIH3T3 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 5239-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.073
BindingDB Entry DOI: 10.7270/Q2NK3DRB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217874
PNG
(1-(methylnitroso)-6-[2-(morpholin-4-yl)ethoxy]-3-p...)
Show SMILES CC(C)NC(=O)c1c(-c2ccccc2)c2ccc(OCCN3CCOCC3)cc2[c-]1[N+](C)=O
Show InChI InChI=1S/C26H31N3O4/c1-18(2)27-26(30)24-23(19-7-5-4-6-8-19)21-10-9-20(17-22(21)25(24)28(3)31)33-16-13-29-11-14-32-15-12-29/h4-10,17-18H,11-16H2,1-3H3,(H,27,30)/b28-25+
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n/an/an/an/a 200n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in NIH3T3 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 5239-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.073
BindingDB Entry DOI: 10.7270/Q2NK3DRB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217871
PNG
(CHEMBL429661 | ethyl 6-{2-[cyclohexyl(methyl)amino...)
Show SMILES CCOC(=O)c1c(-c2ccccc2)c2ccc(OCCN(C)C3CCCCC3)cc2[c-]1[N+](C)=O
Show InChI InChI=1S/C28H34N2O4/c1-4-33-28(31)26-25(20-11-7-5-8-12-20)23-16-15-22(19-24(23)27(26)30(3)32)34-18-17-29(2)21-13-9-6-10-14-21/h5,7-8,11-12,15-16,19,21H,4,6,9-10,13-14,17-18H2,1-3H3/b30-27+
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n/an/an/an/a 70n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in NIH3T3 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 5239-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.073
BindingDB Entry DOI: 10.7270/Q2NK3DRB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217859
PNG
(4-(2-{[1-(methylnitroso)-3-phenyl-1H-inden-6-yl]ox...)
Show SMILES C[N+](=O)[c-]1cc(-c2ccccc2)c2ccc(OCCN3CCOCC3)cc12
Show InChI InChI=1S/C22H24N2O3/c1-23(25)22-16-20(17-5-3-2-4-6-17)19-8-7-18(15-21(19)22)27-14-11-24-9-12-26-13-10-24/h2-8,15-16H,9-14H2,1H3/b23-22-
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n/an/an/an/a 150n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in NIH3T3 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 5239-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.073
BindingDB Entry DOI: 10.7270/Q2NK3DRB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217860
PNG
(CHEMBL249239 | ethyl 1-(methylnitroso)-3-(3-methyl...)
Show SMILES CCOC(=O)c1c(-c2cccc(C)c2)c2ccc(OCCCc3ccccc3)cc2[c-]1[N+](C)=O
Show InChI InChI=1S/C29H29NO4/c1-4-33-29(31)27-26(22-14-8-10-20(2)18-22)24-16-15-23(19-25(24)28(27)30(3)32)34-17-9-13-21-11-6-5-7-12-21/h5-8,10-12,14-16,18-19H,4,9,13,17H2,1-3H3/b30-28+
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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
Agonist activity at human PPARgamma expressed in NIH3T3 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 5239-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.073
BindingDB Entry DOI: 10.7270/Q2NK3DRB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217867
PNG
(CHEMBL248663 | CHEMBL250278 | ethyl 1-(methylnitro...)
Show SMILES CCOC(=O)c1c(-c2ccccc2)c2ccc(OCCN3CCOCC3)cc2[c-]1[N+](C)=O
Show InChI InChI=1S/C25H28N2O5/c1-3-31-25(28)23-22(18-7-5-4-6-8-18)20-10-9-19(17-21(20)24(23)26(2)29)32-16-13-27-11-14-30-15-12-27/h4-10,17H,3,11-16H2,1-2H3/b26-24-
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n/an/an/an/a 40n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in NIH3T3 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 5239-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.073
BindingDB Entry DOI: 10.7270/Q2NK3DRB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217879
PNG
(CHEMBL249045 | ethyl 1-(methylnitroso)-3-(4-methyl...)
Show SMILES CCOC(=O)c1c(-c2ccc(C)cc2)c2ccc(OCCCc3ccccc3)cc2[c-]1[N+](C)=O
Show InChI InChI=1S/C29H29NO4/c1-4-33-29(31)27-26(22-14-12-20(2)13-15-22)24-17-16-23(19-25(24)28(27)30(3)32)34-18-8-11-21-9-6-5-7-10-21/h5-7,9-10,12-17,19H,4,8,11,18H2,1-3H3/b30-28+
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n/an/an/an/a 660n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in NIH3T3 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 5239-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.073
BindingDB Entry DOI: 10.7270/Q2NK3DRB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217862
PNG
(CHEMBL249225 | ethyl 1-(benzylnitroso)-6-methoxy-3...)
Show SMILES CCOC(=O)c1c(-c2ccccc2)c2ccc(OC)cc2[c-]1[N+](=O)Cc1ccccc1
Show InChI InChI=1S/C26H23NO4/c1-3-31-26(28)24-23(19-12-8-5-9-13-19)21-15-14-20(30-2)16-22(21)25(24)27(29)17-18-10-6-4-7-11-18/h4-16H,3,17H2,1-2H3/b27-25+
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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
Agonist activity at human PPARgamma expressed in NIH3T3 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 5239-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.073
BindingDB Entry DOI: 10.7270/Q2NK3DRB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217864
PNG
(CHEMBL250647 | methyl 1-(methylnitroso)-6-[2-(morp...)
Show SMILES COC(=O)c1c(-c2ccccc2)c2ccc(OCCN3CCOCC3)cc2[c-]1[N+](C)=O
Show InChI InChI=1S/C24H26N2O5/c1-25(28)23-20-16-18(31-15-12-26-10-13-30-14-11-26)8-9-19(20)21(22(23)24(27)29-2)17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3/b25-23+
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n/an/an/an/a 140n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in NIH3T3 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 5239-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.073
BindingDB Entry DOI: 10.7270/Q2NK3DRB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217868
PNG
(CHEMBL401388 | ethyl 3-(2H-1,3-benzodioxol-5-yl)-1...)
Show SMILES CCOC(=O)c1c(-c2ccc3OCOc3c2)c2ccc(OCCCc3ccccc3)cc2[c-]1[N+](C)=O
Show InChI InChI=1S/C29H27NO6/c1-3-33-29(31)27-26(20-11-14-24-25(16-20)36-18-35-24)22-13-12-21(17-23(22)28(27)30(2)32)34-15-7-10-19-8-5-4-6-9-19/h4-6,8-9,11-14,16-17H,3,7,10,15,18H2,1-2H3/b30-28+
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n/an/an/an/a 250n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in NIH3T3 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 5239-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.073
BindingDB Entry DOI: 10.7270/Q2NK3DRB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217876
PNG
(CHEMBL399847 | ethyl 1-(methylnitroso)-3-phenyl-6-...)
Show SMILES CCOC(=O)c1c(-c2ccccc2)c2ccc(OCCc3ccccn3)cc2[c-]1[N+](C)=O
Show InChI InChI=1S/C26H24N2O4/c1-3-31-26(29)24-23(18-9-5-4-6-10-18)21-13-12-20(17-22(21)25(24)28(2)30)32-16-14-19-11-7-8-15-27-19/h4-13,15,17H,3,14,16H2,1-2H3/b28-25+
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n/an/an/an/a 30n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in NIH3T3 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 5239-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.073
BindingDB Entry DOI: 10.7270/Q2NK3DRB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217851
PNG
(CHEMBL248850 | ethyl 3-(1H-imidazol-2-yl)-1-(methy...)
Show SMILES CCOC(=O)c1c(-c2ncc[nH]2)c2ccc(OCCCc3ccccc3)cc2[c-]1[N+](C)=O
Show InChI InChI=1S/C25H25N3O4/c1-3-31-25(29)22-21(24-26-13-14-27-24)19-12-11-18(16-20(19)23(22)28(2)30)32-15-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-14,16H,3,7,10,15H2,1-2H3,(H,26,27)/b28-23+
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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
Agonist activity at human PPARgamma expressed in NIH3T3 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 5239-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.073
BindingDB Entry DOI: 10.7270/Q2NK3DRB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217856
PNG
(CHEMBL249438 | ethyl 6-[2-(adamantan-1-yl)ethoxy]-...)
Show SMILES CCOC(=O)c1c(-c2ccccc2)c2ccc(OCCC34CC5CC(CC(C5)C3)C4)cc2[c-]1[N+](C)=O
Show InChI InChI=1S/C31H35NO4/c1-3-35-30(33)28-27(23-7-5-4-6-8-23)25-10-9-24(16-26(25)29(28)32(2)34)36-12-11-31-17-20-13-21(18-31)15-22(14-20)19-31/h4-10,16,20-22H,3,11-15,17-19H2,1-2H3/b32-29+
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n/an/an/an/a 840n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in NIH3T3 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 5239-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.073
BindingDB Entry DOI: 10.7270/Q2NK3DRB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217869
PNG
(CHEMBL248660 | ethyl 1-(methylnitroso)-3-(pentan-3...)
Show SMILES CCOC(=O)c1c(C(CC)CC)c2ccc(OCCCc3ccccc3)cc2[c-]1[N+](C)=O
Show InChI InChI=1S/C27H33NO4/c1-5-20(6-2)24-22-16-15-21(32-17-11-14-19-12-9-8-10-13-19)18-23(22)26(28(4)30)25(24)27(29)31-7-3/h8-10,12-13,15-16,18,20H,5-7,11,14,17H2,1-4H3/b28-26+
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n/an/an/an/a 80n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in NIH3T3 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 5239-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.073
BindingDB Entry DOI: 10.7270/Q2NK3DRB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217872
PNG
((E)-ethyl 6-methoxy-1-(methoxyimino)-3-phenyl-1H-i...)
Show SMILES CCOC(=O)C1=C(c2ccc(OC)cc2\C1=N/OC)c1ccccc1
Show InChI InChI=1S/C20H19NO4/c1-4-25-20(22)18-17(13-8-6-5-7-9-13)15-11-10-14(23-2)12-16(15)19(18)21-24-3/h5-12H,4H2,1-3H3/b21-19+
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n/an/an/an/a 1.50E+3n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in NIH3T3 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 5239-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.073
BindingDB Entry DOI: 10.7270/Q2NK3DRB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217875
PNG
(CHEMBL404004 | ethyl 1-(methylnitroso)-3-phenyl-6-...)
Show SMILES CCOC(=O)c1c(-c2ccccc2)c2ccc(OCc3ccccn3)cc2[c-]1[N+](C)=O
Show InChI InChI=1S/C25H22N2O4/c1-3-30-25(28)23-22(17-9-5-4-6-10-17)20-13-12-19(15-21(20)24(23)27(2)29)31-16-18-11-7-8-14-26-18/h4-15H,3,16H2,1-2H3/b27-24+
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n/an/an/an/a 90n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in NIH3T3 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 5239-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.073
BindingDB Entry DOI: 10.7270/Q2NK3DRB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217878
PNG
(CHEMBL401841 | ethyl 1-(methylnitroso)-6-[2-(4-met...)
Show SMILES CCOC(=O)c1c(-c2ccccc2)c2ccc(OCCN3CCN(C)CC3)cc2[c-]1[N+](C)=O
Show InChI InChI=1S/C26H31N3O4/c1-4-32-26(30)24-23(19-8-6-5-7-9-19)21-11-10-20(18-22(21)25(24)28(3)31)33-17-16-29-14-12-27(2)13-15-29/h5-11,18H,4,12-17H2,1-3H3/b28-25+
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n/an/an/an/a 30n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in NIH3T3 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 5239-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.073
BindingDB Entry DOI: 10.7270/Q2NK3DRB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217852
PNG
(CHEMBL400989 | ethyl 1-(methylnitroso)-6-(3-phenyl...)
Show SMILES CCOC(=O)c1c(-c2ccsc2)c2ccc(OCCCc3ccccc3)cc2[c-]1[N+](C)=O
Show InChI InChI=1S/C26H25NO4S/c1-3-30-26(28)24-23(19-13-15-32-17-19)21-12-11-20(16-22(21)25(24)27(2)29)31-14-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-13,15-17H,3,7,10,14H2,1-2H3/b27-25+
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n/an/an/an/a 190n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in NIH3T3 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 5239-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.073
BindingDB Entry DOI: 10.7270/Q2NK3DRB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217866
PNG
(CHEMBL399661 | N-cyclopropyl-1-(methylnitroso)-6-[...)
Show SMILES C[N+](=O)[c-]1c(C(=O)NC2CC2)c(-c2ccccc2)c2ccc(OCCN3CCOCC3)cc12
Show InChI InChI=1S/C26H29N3O4/c1-28(31)25-22-17-20(33-16-13-29-11-14-32-15-12-29)9-10-21(22)23(18-5-3-2-4-6-18)24(25)26(30)27-19-7-8-19/h2-6,9-10,17,19H,7-8,11-16H2,1H3,(H,27,30)/b28-25+
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n/an/an/an/a 20n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in NIH3T3 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 5239-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.073
BindingDB Entry DOI: 10.7270/Q2NK3DRB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217870
PNG
(CHEMBL399269 | ethyl (1E)-1-[ethyl(oxido)imino]-6-...)
Show SMILES CCOC(=O)c1c(-c2ccccc2)c2ccc(OC)cc2[c-]1[N+](=O)CC
Show InChI InChI=1S/C21H21NO4/c1-4-22(24)20-17-13-15(25-3)11-12-16(17)18(14-9-7-6-8-10-14)19(20)21(23)26-5-2/h6-13H,4-5H2,1-3H3/b22-20+
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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
Agonist activity at human PPARgamma expressed in NIH3T3 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 5239-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.073
BindingDB Entry DOI: 10.7270/Q2NK3DRB
More data for this
Ligand-Target Pair
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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n/an/an/an/a>1.00E+4n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in NIH3T3 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 5239-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.073
BindingDB Entry DOI: 10.7270/Q2NK3DRB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217857
PNG
(CHEMBL248848 | ethyl 3-(furan-3-yl)-1-(methylnitro...)
Show SMILES CCOC(=O)c1c(-c2ccoc2)c2ccc(OCCCc3ccccc3)cc2[c-]1[N+](C)=O
Show InChI InChI=1S/C26H25NO5/c1-3-31-26(28)24-23(19-13-15-30-17-19)21-12-11-20(16-22(21)25(24)27(2)29)32-14-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-13,15-17H,3,7,10,14H2,1-2H3/b27-25+
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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
Agonist activity at human PPARgamma expressed in NIH3T3 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 5239-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.073
BindingDB Entry DOI: 10.7270/Q2NK3DRB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217858
PNG
(CHEMBL250276 | propan-2-yl 1-(methylnitroso)-6-[2-...)
Show SMILES CC(C)OC(=O)c1c(-c2ccccc2)c2ccc(OCCN3CCOCC3)cc2[c-]1[N+](C)=O
Show InChI InChI=1S/C26H30N2O5/c1-18(2)33-26(29)24-23(19-7-5-4-6-8-19)21-10-9-20(17-22(21)25(24)27(3)30)32-16-13-28-11-14-31-15-12-28/h4-10,17-18H,11-16H2,1-3H3/b27-25+
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n/an/an/an/a 25n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in NIH3T3 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 5239-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.073
BindingDB Entry DOI: 10.7270/Q2NK3DRB
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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n/an/an/an/a 320n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in NIH3T3 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 5239-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.073
BindingDB Entry DOI: 10.7270/Q2NK3DRB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217861
PNG
(CHEMBL400955 | ethyl 1-(methylnitroso)-3-phenyl-6-...)
Show SMILES CCOC(=O)c1c(-c2ccccc2)c2ccc(OC\C=C\c3ccccc3)cc2[c-]1[N+](C)=O
Show InChI InChI=1S/C28H25NO4/c1-3-32-28(30)26-25(21-14-8-5-9-15-21)23-17-16-22(19-24(23)27(26)29(2)31)33-18-10-13-20-11-6-4-7-12-20/h4-17,19H,3,18H2,1-2H3/b13-10+,29-27+
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n/an/an/an/a 200n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in NIH3T3 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 5239-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.073
BindingDB Entry DOI: 10.7270/Q2NK3DRB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217877
PNG
(CHEMBL249833 | ethyl 3-ethyl-1-(methylnitroso)-6-(...)
Show SMILES CCOC(=O)c1c(CC)c2ccc(OCCCc3ccccc3)cc2[c-]1[N+](C)=O
Show InChI InChI=1S/C24H27NO4/c1-4-19-20-14-13-18(29-15-9-12-17-10-7-6-8-11-17)16-21(20)23(25(3)27)22(19)24(26)28-5-2/h6-8,10-11,13-14,16H,4-5,9,12,15H2,1-3H3/b25-23+
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n/an/an/an/a 80n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in NIH3T3 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 5239-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.073
BindingDB Entry DOI: 10.7270/Q2NK3DRB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217853
PNG
(CHEMBL249439 | ethyl 1-(methylnitroso)-3-phenyl-6-...)
Show SMILES CCOC(=O)c1c(-c2ccccc2)c2ccc(OCCCc3ccccc3)cc2[c-]1[N+](C)=O
Show InChI InChI=1S/C28H27NO4/c1-3-32-28(30)26-25(21-14-8-5-9-15-21)23-17-16-22(19-24(23)27(26)29(2)31)33-18-10-13-20-11-6-4-7-12-20/h4-9,11-12,14-17,19H,3,10,13,18H2,1-2H3/b29-27+
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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
Agonist activity at human PPARgamma expressed in NIH3T3 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 5239-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.073
BindingDB Entry DOI: 10.7270/Q2NK3DRB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217854
PNG
(CHEMBL250223 | ethyl (1E)-6-methoxy-1-[methyl(oxid...)
Show SMILES CCOC(=O)c1c(-c2ccccc2)c2ccc(OC)cc2[c-]1[N+](C)=O
Show InChI InChI=1S/C20H19NO4/c1-4-25-20(22)18-17(13-8-6-5-7-9-13)15-11-10-14(24-3)12-16(15)19(18)21(2)23/h5-12H,4H2,1-3H3/b21-19+
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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
Agonist activity at human PPARgamma expressed in NIH3T3 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 5239-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.073
BindingDB Entry DOI: 10.7270/Q2NK3DRB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217863
PNG
(CHEMBL400956 | ethyl 1-(methylnitroso)-3-phenyl-6-...)
Show SMILES CCOC(=O)c1c(-c2ccccc2)c2ccc(OCCCCc3ccccc3)cc2[c-]1[N+](C)=O
Show InChI InChI=1S/C29H29NO4/c1-3-33-29(31)27-26(22-15-8-5-9-16-22)24-18-17-23(20-25(24)28(27)30(2)32)34-19-11-10-14-21-12-6-4-7-13-21/h4-9,12-13,15-18,20H,3,10-11,14,19H2,1-2H3/b30-28+
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n/an/an/an/a 150n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in NIH3T3 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 5239-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.073
BindingDB Entry DOI: 10.7270/Q2NK3DRB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217865
PNG
(CHEMBL400351 | ethyl 1-(methylnitroso)-3-phenyl-6-...)
Show SMILES CCOC(=O)c1c(-c2ccccc2)c2ccc(OCCc3ccccc3)cc2[c-]1[N+](C)=O
Show InChI InChI=1S/C27H25NO4/c1-3-31-27(29)25-24(20-12-8-5-9-13-20)22-15-14-21(18-23(22)26(25)28(2)30)32-17-16-19-10-6-4-7-11-19/h4-15,18H,3,16-17H2,1-2H3/b28-26+
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n/an/an/an/a 200n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in NIH3T3 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 5239-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.073
BindingDB Entry DOI: 10.7270/Q2NK3DRB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217867
PNG
(CHEMBL248663 | CHEMBL250278 | ethyl 1-(methylnitro...)
Show SMILES CCOC(=O)c1c(-c2ccccc2)c2ccc(OCCN3CCOCC3)cc2[c-]1[N+](C)=O
Show InChI InChI=1S/C25H28N2O5/c1-3-31-25(28)23-22(18-7-5-4-6-8-18)20-10-9-19(17-21(20)24(23)26(2)29)32-16-13-27-11-14-30-15-12-27/h4-10,17H,3,11-16H2,1-2H3/b26-24-
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n/an/an/an/a 15n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in NIH3T3 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 5239-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.073
BindingDB Entry DOI: 10.7270/Q2NK3DRB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%