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Compile Data Set for Download or QSAR

Found 52 hits Enz. Inhib. hit(s) with all data for entry = 50005056   
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))
BDBM50085582
PNG
(5-(4-{2-[1-Biphenyl-2-yl-eth-(E)-ylideneaminooxy]-...)
Show SMILES C\C(=N/OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C26H24N2O4S/c1-18(22-9-5-6-10-23(22)20-7-3-2-4-8-20)28-32-16-15-31-21-13-11-19(12-14-21)17-24-25(29)27-26(30)33-24/h2-14,29H,15-17H2,1H3,(H,27,30)/b28-18+
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Article
n/an/an/an/a>1.00E+5n/an/an/an/a


TBA

Assay Description
Transactivation activity at PPARgamma (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50103636
PNG
(ADD-3878 | CHEBI:64227 | Ciglitazone | U-63287)
Show SMILES CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1
Show InChI InChI=1S/C18H23NO3S/c1-18(9-3-2-4-10-18)12-22-14-7-5-13(6-8-14)11-15-16(20)19-17(21)23-15/h5-8,15H,2-4,9-12H2,1H3,(H,19,20,21)
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Article
n/an/an/an/a 3.00E+3n/an/an/an/a


TBA

Assay Description
Transactivation activity at Homo sapiens (human) PPARgamma


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50085588
PNG
(5-(4-{2-[1-Pyridin-3-yl-eth-(E)-ylideneaminooxy]-e...)
Show SMILES C\C(=N/OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1cccnc1
Show InChI InChI=1S/C19H19N3O4S/c1-13(15-3-2-8-20-12-15)22-26-10-9-25-16-6-4-14(5-7-16)11-17-18(23)21-19(24)27-17/h2-8,12,23H,9-11H2,1H3,(H,21,24)/b22-13+
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Article
n/an/an/an/a 2.80E+3n/an/an/an/a


TBA

Assay Description
Transactivation activity at PPARgamma (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50085575
PNG
(5-(4-{2-[1-Biphenyl-3-yl-eth-(E)-ylideneaminooxy]-...)
Show SMILES C\C(=N/OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C26H24N2O4S/c1-18(21-8-5-9-22(17-21)20-6-3-2-4-7-20)28-32-15-14-31-23-12-10-19(11-13-23)16-24-25(29)27-26(30)33-24/h2-13,17,29H,14-16H2,1H3,(H,27,30)/b28-18+
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Article
n/an/an/an/a 330n/an/an/an/a


TBA

Assay Description
Transactivation activity at PPARgamma (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50127930
PNG
(5-(4-{3-[4-(4-Cyclopentyl-phenoxy)-2-propyl-phenox...)
Show SMILES CCCc1cc(Oc2ccc(cc2)C2CCCC2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C32H35NO5S/c1-2-6-25-21-28(38-27-15-9-23(10-16-27)22-7-3-4-8-22)17-18-29(25)37-20-5-19-36-26-13-11-24(12-14-26)30-31(34)33-32(35)39-30/h9-18,21-22,34H,2-8,19-20H2,1H3,(H,33,35)
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Article
n/an/an/an/a 123n/an/an/an/a


TBA

Assay Description
Transactivation activity at Homo sapiens (human) PPARgamma


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50085576
PNG
(5-(4-{2-[1-(4-Pyridin-3-yl-phenyl)-eth-(E)-ylidene...)
Show SMILES C\C(=N/OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C25H23N3O4S/c1-17(19-6-8-20(9-7-19)21-3-2-12-26-16-21)28-32-14-13-31-22-10-4-18(5-11-22)15-23-24(29)27-25(30)33-23/h2-12,16,29H,13-15H2,1H3,(H,27,30)/b28-17+
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Article
n/an/an/an/a 800n/an/an/an/a


TBA

Assay Description
Transactivation activity at PPARgamma (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50487760
PNG
(CHEMBL2259814)
Show SMILES CCCc1cc(Oc2ccc(O)cc2)ccc1OCCCOc1ccc(cc1)C1SC(=O)NC1=O
Show InChI InChI=1S/C27H27NO6S/c1-2-4-19-17-23(34-22-11-7-20(29)8-12-22)13-14-24(19)33-16-3-15-32-21-9-5-18(6-10-21)25-26(30)28-27(31)35-25/h5-14,17,25,29H,2-4,15-16H2,1H3,(H,28,30,31)
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Article
n/an/an/an/a 23n/an/an/an/a


TBA

Assay Description
Transactivation activity at Homo sapiens (human) PPARgamma


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50487761
PNG
(CHEMBL2263569)
Show SMILES CCOC(=O)CN1C(=O)S\C(=C/c2ccc(OCCBr)cc2)C1=O
Show InChI InChI=1S/C16H16BrNO5S/c1-2-22-14(19)10-18-15(20)13(24-16(18)21)9-11-3-5-12(6-4-11)23-8-7-17/h3-6,9H,2,7-8,10H2,1H3/b13-9-
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Article
n/an/an/an/a 1.10E+4n/an/an/an/a


TBA

Assay Description
Transactivation activity at PPARgamma (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50487762
PNG
(CHEMBL2263568)
Show SMILES COC(=O)CN1C(=O)SC(Cc2ccc(O)cc2)C1=O
Show InChI InChI=1S/C13H13NO5S/c1-19-11(16)7-14-12(17)10(20-13(14)18)6-8-2-4-9(15)5-3-8/h2-5,10,15H,6-7H2,1H3
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Article
n/an/an/an/a 9.00E+3n/an/an/an/a


TBA

Assay Description
Transactivation activity at PPARgamma (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50085578
PNG
(5-(4-{2-[1-Biphenyl-4-yl-but-(E)-ylideneaminooxy]-...)
Show SMILES CCC\C(=N/OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H28N2O4S/c1-2-6-25(23-13-11-22(12-14-23)21-7-4-3-5-8-21)30-34-18-17-33-24-15-9-20(10-16-24)19-26-27(31)29-28(32)35-26/h3-5,7-16,31H,2,6,17-19H2,1H3,(H,29,32)/b30-25+
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Article
n/an/an/an/a>1.00E+5n/an/an/an/a


TBA

Assay Description
Transactivation activity at PPARgamma (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50127935
PNG
(5-(4-{3-[4-(Biphenyl-4-yloxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(cc2)-c2ccccc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C33H31NO5S/c1-2-7-26-22-29(39-28-16-10-24(11-17-28)23-8-4-3-5-9-23)18-19-30(26)38-21-6-20-37-27-14-12-25(13-15-27)31-32(35)34-33(36)40-31/h3-5,8-19,22,35H,2,6-7,20-21H2,1H3,(H,34,36)
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Article
n/an/an/an/a 20n/an/an/an/a


TBA

Assay Description
Transactivation activity at Homo sapiens (human) PPARgamma


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50127925
PNG
(5-{3-Methyl-4-[3-(4-phenoxy-2-propyl-phenoxy)-prop...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1C)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO5S/c1-3-8-20-18-23(34-22-9-5-4-6-10-22)12-14-25(20)33-16-7-15-32-24-13-11-21(17-19(24)2)26-27(30)29-28(31)35-26/h4-6,9-14,17-18,30H,3,7-8,15-16H2,1-2H3,(H,29,31)
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Article
n/an/an/an/a 100n/an/an/an/a


TBA

Assay Description
Transactivation activity at Homo sapiens (human) PPARgamma


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50127932
PNG
(5-(4-{3-[4-(4-Isobutyl-phenoxy)-2-propyl-phenoxy]-...)
Show SMILES CCCc1cc(Oc2ccc(CC(C)C)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C31H35NO5S/c1-4-6-24-20-27(37-26-11-7-22(8-12-26)19-21(2)3)15-16-28(24)36-18-5-17-35-25-13-9-23(10-14-25)29-30(33)32-31(34)38-29/h7-16,20-21,33H,4-6,17-19H2,1-3H3,(H,32,34)
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Article
n/an/an/an/a 30n/an/an/an/a


TBA

Assay Description
Transactivation activity at Homo sapiens (human) PPARgamma


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50127922
PNG
(5-{4-[4-(4-Phenoxy-2-propyl-phenoxy)-butoxy]-pheny...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO5S/c1-2-8-21-19-24(34-23-9-4-3-5-10-23)15-16-25(21)33-18-7-6-17-32-22-13-11-20(12-14-22)26-27(30)29-28(31)35-26/h3-5,9-16,19,30H,2,6-8,17-18H2,1H3,(H,29,31)
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Article
n/an/an/an/a 1.00E+3n/an/an/an/a


TBA

Assay Description
Transactivation activity at Homo sapiens (human) PPARgamma


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50487763
PNG
(CHEMBL2263556)
Show SMILES CCOC(=O)CN1C(=O)S\C(=C/c2ccc(OC)cc2)C1=O
Show InChI InChI=1S/C15H15NO5S/c1-3-21-13(17)9-16-14(18)12(22-15(16)19)8-10-4-6-11(20-2)7-5-10/h4-8H,3,9H2,1-2H3/b12-8-
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Article
n/an/an/an/a 7.00E+3n/an/an/an/a


TBA

Assay Description
Transactivation activity at PPARgamma (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50487764
PNG
(CHEMBL2259810)
Show SMILES CCOC(=O)CN1C(=O)SC(Cc2ccc(OCCBr)cc2)C1=O
Show InChI InChI=1S/C16H18BrNO5S/c1-2-22-14(19)10-18-15(20)13(24-16(18)21)9-11-3-5-12(6-4-11)23-8-7-17/h3-6,13H,2,7-10H2,1H3
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Article
n/an/an/an/a 1.20E+4n/an/an/an/a


TBA

Assay Description
Transactivation activity at PPARgamma (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50487765
PNG
(CHEMBL2263563)
Show SMILES CCOC(=O)CN1C(=O)SC(Cc2ccc(F)cc2)C1=O
Show InChI InChI=1S/C14H14FNO4S/c1-2-20-12(17)8-16-13(18)11(21-14(16)19)7-9-3-5-10(15)6-4-9/h3-6,11H,2,7-8H2,1H3
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Article
n/an/an/an/a 1.00E+4n/an/an/an/a


TBA

Assay Description
Transactivation activity at PPARgamma (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50085589
PNG
(Biphenyl-4-carbaldehyde O-{2-[4-(2,4-dioxo-thiazol...)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(OCCO\N=C\c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H22N2O4S/c28-24-23(32-25(29)27-24)16-18-8-12-22(13-9-18)30-14-15-31-26-17-19-6-10-21(11-7-19)20-4-2-1-3-5-20/h1-13,17,28H,14-16H2,(H,27,29)/b26-17+
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Article
n/an/an/an/a>1.00E+5n/an/an/an/a


TBA

Assay Description
Transactivation activity at PPARgamma (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50487766
PNG
(CHEMBL2263555)
Show SMILES CCOC(=O)CN1C(=O)S\C(=C/c2ccc(C)cc2)C1=O
Show InChI InChI=1S/C15H15NO4S/c1-3-20-13(17)9-16-14(18)12(21-15(16)19)8-11-6-4-10(2)5-7-11/h4-8H,3,9H2,1-2H3/b12-8-
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Article
n/an/an/an/a 9.00E+3n/an/an/an/a


TBA

Assay Description
Transactivation activity at PPARgamma (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50085585
PNG
(5-(4-{2-[1-Pyridin-4-yl-eth-(E)-ylideneaminooxy]-e...)
Show SMILES C\C(=N/OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccncc1
Show InChI InChI=1S/C19H19N3O4S/c1-13(15-6-8-20-9-7-15)22-26-11-10-25-16-4-2-14(3-5-16)12-17-18(23)21-19(24)27-17/h2-9,23H,10-12H2,1H3,(H,21,24)/b22-13+
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Article
n/an/an/an/a 7.90E+3n/an/an/an/a


TBA

Assay Description
Transactivation activity at PPARgamma (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50085590
PNG
(5-(4-{2-[1-Pyridin-2-yl-eth-(E)-ylideneaminooxy]-e...)
Show SMILES C\C(=N/OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C19H19N3O4S/c1-13(16-4-2-3-9-20-16)22-26-11-10-25-15-7-5-14(6-8-15)12-17-18(23)21-19(24)27-17/h2-9,23H,10-12H2,1H3,(H,21,24)/b22-13+
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Article
n/an/an/an/a 2.80E+3n/an/an/an/a


TBA

Assay Description
Transactivation activity at PPARgamma (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50085583
PNG
(5-(4-{2-[1-Phenyl-eth-(E)-ylideneaminooxy]-ethoxy}...)
Show SMILES C\C(=N/OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccc1
Show InChI InChI=1S/C20H20N2O4S/c1-14(16-5-3-2-4-6-16)22-26-12-11-25-17-9-7-15(8-10-17)13-18-19(23)21-20(24)27-18/h2-10,23H,11-13H2,1H3,(H,21,24)/b22-14+
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Article
n/an/an/an/a 1.70E+3n/an/an/an/a


TBA

Assay Description
Transactivation activity at PPARgamma (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50085586
PNG
(5-(4-{2-[1-(5-Phenyl-pyridin-2-yl)-eth-(E)-ylidene...)
Show SMILES C\C(=N/OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccc(cn1)-c1ccccc1
Show InChI InChI=1S/C25H23N3O4S/c1-17(22-12-9-20(16-26-22)19-5-3-2-4-6-19)28-32-14-13-31-21-10-7-18(8-11-21)15-23-24(29)27-25(30)33-23/h2-12,16,29H,13-15H2,1H3,(H,27,30)/b28-17+
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Article
n/an/an/an/a 1.10E+3n/an/an/an/a


TBA

Assay Description
Transactivation activity at PPARgamma (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50049246
PNG
(5-((R)-2-Benzyl-chroman-6-ylmethyl)-thiazolidine-2...)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc2O[C@@H](Cc3ccccc3)CCc2c1
Show InChI InChI=1S/C20H19NO3S/c22-19-18(25-20(23)21-19)12-14-6-9-17-15(10-14)7-8-16(24-17)11-13-4-2-1-3-5-13/h1-6,9-10,16,22H,7-8,11-12H2,(H,21,23)/t16-/m1/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a


TBA

Assay Description
Transactivation activity at Homo sapiens (human) PPARgamma


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50075315
PNG
(5-(2,4-Dioxo-thiazolidin-5-ylmethyl)-2-methoxy-N-(...)
Show SMILES COc1ccc(Cc2sc(=O)[nH]c2O)cc1C(=O)NCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H17F3N2O4S/c1-29-15-7-4-12(9-16-18(27)25-19(28)30-16)8-14(15)17(26)24-10-11-2-5-13(6-3-11)20(21,22)23/h2-8,27H,9-10H2,1H3,(H,24,26)(H,25,28)
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n/an/an/an/a 850n/an/an/an/a


TBA

Assay Description
Transactivation activity at Homo sapiens (human) PPARgamma


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50103521
PNG
(Actos | CHEBI:8228 | Duetact | Pioglitazone | US10...)
Show SMILES CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1
Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)
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Article
n/an/an/an/a 600n/an/an/an/a


TBA

Assay Description
Transactivation activity at Homo sapiens (human) PPARgamma


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50127934
PNG
(5-{3-Methoxy-4-[3-(4-phenoxy-2-propyl-phenoxy)-pro...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1OC)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO6S/c1-3-8-19-17-22(35-21-9-5-4-6-10-21)12-14-23(19)33-15-7-16-34-24-13-11-20(18-25(24)32-2)26-27(30)29-28(31)36-26/h4-6,9-14,17-18,30H,3,7-8,15-16H2,1-2H3,(H,29,31)
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Article
n/an/an/an/a 400n/an/an/an/a


TBA

Assay Description
Transactivation activity at Homo sapiens (human) PPARgamma


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50085587
PNG
(5-(4-{2-[1-Biphenyl-4-yl-eth-(E)-ylideneaminooxy]-...)
Show SMILES C\C(=N/OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H24N2O4S/c1-18(20-9-11-22(12-10-20)21-5-3-2-4-6-21)28-32-16-15-31-23-13-7-19(8-14-23)17-24-25(29)27-26(30)33-24/h2-14,29H,15-17H2,1H3,(H,27,30)/b28-18+
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Article
n/an/an/an/a>400n/an/an/an/a


TBA

Assay Description
Transactivation activity at PPARgamma (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50127917
PNG
(5-{3-Fluoro-4-[3-(4-phenoxy-2-propyl-phenoxy)-prop...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1F)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26FNO5S/c1-2-7-18-16-21(34-20-8-4-3-5-9-20)11-13-23(18)32-14-6-15-33-24-12-10-19(17-22(24)28)25-26(30)29-27(31)35-25/h3-5,8-13,16-17,30H,2,6-7,14-15H2,1H3,(H,29,31)
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Article
n/an/an/an/a 300n/an/an/an/a


TBA

Assay Description
Transactivation activity at Homo sapiens (human) PPARgamma


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50085584
PNG
(5-(4-{2-[1-(6-Phenyl-pyridin-3-yl)-eth-(E)-ylidene...)
Show SMILES C\C(=N/OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C25H23N3O4S/c1-17(20-9-12-22(26-16-20)19-5-3-2-4-6-19)28-32-14-13-31-21-10-7-18(8-11-21)15-23-24(29)27-25(30)33-23/h2-12,16,29H,13-15H2,1H3,(H,27,30)/b28-17+
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Article
n/an/an/an/a 190n/an/an/an/a


TBA

Assay Description
Transactivation activity at PPARgamma (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50127920
PNG
(5-(4-{3-[4-(4-Chloro-phenoxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(Cl)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26ClNO5S/c1-2-4-19-17-23(34-22-11-7-20(28)8-12-22)13-14-24(19)33-16-3-15-32-21-9-5-18(6-10-21)25-26(30)29-27(31)35-25/h5-14,17,30H,2-4,15-16H2,1H3,(H,29,31)
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Article
n/an/an/an/a 80n/an/an/an/a


TBA

Assay Description
Transactivation activity at Homo sapiens (human) PPARgamma


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50127924
PNG
(5-(4-{3-[4-(4-Methanesulfonyl-phenoxy)-2-propyl-ph...)
Show SMILES CCCc1cc(Oc2ccc(cc2)S(C)(=O)=O)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO7S2/c1-3-5-20-18-23(36-22-10-13-24(14-11-22)38(2,32)33)12-15-25(20)35-17-4-16-34-21-8-6-19(7-9-21)26-27(30)29-28(31)37-26/h6-15,18,30H,3-5,16-17H2,1-2H3,(H,29,31)
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Article
n/an/an/an/a 120n/an/an/an/a


TBA

Assay Description
Transactivation activity at Homo sapiens (human) PPARgamma


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50127921
PNG
(5-(4-{3-[4-(4-Methoxy-phenoxy)-2-propyl-phenoxy]-p...)
Show SMILES CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO6S/c1-3-5-20-18-24(35-23-12-10-21(32-2)11-13-23)14-15-25(20)34-17-4-16-33-22-8-6-19(7-9-22)26-27(30)29-28(31)36-26/h6-15,18,30H,3-5,16-17H2,1-2H3,(H,29,31)
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Article
n/an/an/an/a 30n/an/an/an/a


TBA

Assay Description
Transactivation activity at Homo sapiens (human) PPARgamma


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50487767
PNG
(CHEMBL2259815)
Show SMILES CCCc1cc(Oc2ccc(Cl)c(Cl)c2)ccc1OCCCOc1ccc(cc1)C1SC(=O)NC1=O
Show InChI InChI=1S/C27H25Cl2NO5S/c1-2-4-18-15-20(35-21-9-11-22(28)23(29)16-21)10-12-24(18)34-14-3-13-33-19-7-5-17(6-8-19)25-26(31)30-27(32)36-25/h5-12,15-16,25H,2-4,13-14H2,1H3,(H,30,31,32)
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Article
n/an/an/an/a 47n/an/an/an/a


TBA

Assay Description
Transactivation activity at Homo sapiens (human) PPARgamma


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50487768
PNG
(CHEMBL2263567)
Show SMILES COC(=O)CN1C(=O)S\C(=C/c2ccc(O)cc2)C1=O
Show InChI InChI=1S/C13H11NO5S/c1-19-11(16)7-14-12(17)10(20-13(14)18)6-8-2-4-9(15)5-3-8/h2-6,15H,7H2,1H3/b10-6-
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Article
n/an/an/an/a 1.00E+4n/an/an/an/a


TBA

Assay Description
Transactivation activity at PPARgamma (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50487769
PNG
(CHEMBL2263554)
Show SMILES CCOC(=O)CN1C(=O)S\C(=C/c2cccc(c2)[N+]([O-])=O)C1=O
Show InChI InChI=1S/C14H12N2O6S/c1-2-22-12(17)8-15-13(18)11(23-14(15)19)7-9-4-3-5-10(6-9)16(20)21/h3-7H,2,8H2,1H3/b11-7-
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Article
n/an/an/an/a 1.10E+4n/an/an/an/a


TBA

Assay Description
Transactivation activity at PPARgamma (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50085579
PNG
(5-(4-{2-[1-(4-Pyridin-4-yl-phenyl)-eth-(E)-ylidene...)
Show SMILES C\C(=N/OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C25H23N3O4S/c1-17(19-4-6-20(7-5-19)21-10-12-26-13-11-21)28-32-15-14-31-22-8-2-18(3-9-22)16-23-24(29)27-25(30)33-23/h2-13,29H,14-16H2,1H3,(H,27,30)/b28-17+
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Article
n/an/an/an/a 1.60E+3n/an/an/an/a


TBA

Assay Description
Transactivation activity at PPARgamma (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50127926
PNG
(5-{3-Chloro-4-[3-(4-phenoxy-2-propyl-phenoxy)-prop...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1Cl)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26ClNO5S/c1-2-7-18-16-21(34-20-8-4-3-5-9-20)11-13-23(18)32-14-6-15-33-24-12-10-19(17-22(24)28)25-26(30)29-27(31)35-25/h3-5,8-13,16-17,30H,2,6-7,14-15H2,1H3,(H,29,31)
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Article
n/an/an/an/a 700n/an/an/an/a


TBA

Assay Description
Transactivation activity at Homo sapiens (human) PPARgamma


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50127918
PNG
(CHEMBL50984 | N-[4-(4-{3-[4-(2,4-Dioxo-thiazolidin...)
Show SMILES CCCc1cc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C34H34N2O7S2/c1-3-5-25-22-29(43-28-14-10-26(11-15-28)36-45(39,40)30-17-6-23(2)7-18-30)16-19-31(25)42-21-4-20-41-27-12-8-24(9-13-27)32-33(37)35-34(38)44-32/h6-19,22,36-37H,3-5,20-21H2,1-2H3,(H,35,38)
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Article
n/an/an/an/a 500n/an/an/an/a


TBA

Assay Description
Transactivation activity at Homo sapiens (human) PPARgamma


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50127931
PNG
(5-{4-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-phen...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H27NO5S/c1-2-7-20-18-23(33-22-8-4-3-5-9-22)14-15-24(20)32-17-6-16-31-21-12-10-19(11-13-21)25-26(29)28-27(30)34-25/h3-5,8-15,18,29H,2,6-7,16-17H2,1H3,(H,28,30)
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Article
n/an/an/an/a 14n/an/an/an/a


TBA

Assay Description
Transactivation activity at Homo sapiens (human) PPARgamma


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50487770
PNG
(CHEMBL2259812)
Show SMILES CCCc1cc(Oc2ccc(cc2)C(C)C)ccc1OCCCOc1ccc(cc1)C1SC(=O)NC1=O
Show InChI InChI=1S/C30H33NO5S/c1-4-6-23-19-26(36-25-13-7-21(8-14-25)20(2)3)15-16-27(23)35-18-5-17-34-24-11-9-22(10-12-24)28-29(32)31-30(33)37-28/h7-16,19-20,28H,4-6,17-18H2,1-3H3,(H,31,32,33)
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Article
n/an/an/an/a 167n/an/an/an/a


TBA

Assay Description
Transactivation activity at Homo sapiens (human) PPARgamma


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50127933
PNG
(5-(4-(3-(4-(4-fluorophenoxy)-2-propylphenoxy)propo...)
Show SMILES CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26FNO5S/c1-2-4-19-17-23(34-22-11-7-20(28)8-12-22)13-14-24(19)33-16-3-15-32-21-9-5-18(6-10-21)25-26(30)29-27(31)35-25/h5-14,17,30H,2-4,15-16H2,1H3,(H,29,31)
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Article
n/an/an/an/a 60n/an/an/an/a


TBA

Assay Description
Transactivation activity at Homo sapiens (human) PPARgamma


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50487771
PNG
(CHEMBL2259816)
Show SMILES CCCc1cc(Oc2ccc(Cl)c(C)c2)ccc1OCCCOc1ccc(cc1)C1SC(=O)NC1=O
Show InChI InChI=1S/C28H28ClNO5S/c1-3-5-20-17-23(35-22-10-12-24(29)18(2)16-22)11-13-25(20)34-15-4-14-33-21-8-6-19(7-9-21)26-27(31)30-28(32)36-26/h6-13,16-17,26H,3-5,14-15H2,1-2H3,(H,30,31,32)
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Article
n/an/an/an/a 27n/an/an/an/a


TBA

Assay Description
Transactivation activity at Homo sapiens (human) PPARgamma


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50085577
PNG
(5-(4-{2-[1-Biphenyl-4-yl-prop-(E)-ylideneaminooxy]...)
Show SMILES CC\C(=N/OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N2O4S/c1-2-24(22-12-10-21(11-13-22)20-6-4-3-5-7-20)29-33-17-16-32-23-14-8-19(9-15-23)18-25-26(30)28-27(31)34-25/h3-15,30H,2,16-18H2,1H3,(H,28,31)/b29-24+
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Article
n/an/an/an/a 1.60E+3n/an/an/an/a


TBA

Assay Description
Transactivation activity at PPARgamma (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50487772
PNG
(CHEMBL2263561)
Show SMILES CCOC(=O)CN1C(=O)S\C(=C/c2ccc(Cl)cc2)C1=O
Show InChI InChI=1S/C14H12ClNO4S/c1-2-20-12(17)8-16-13(18)11(21-14(16)19)7-9-3-5-10(15)6-4-9/h3-7H,2,8H2,1H3/b11-7-
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Article
n/an/an/an/a 8.00E+3n/an/an/an/a


TBA

Assay Description
Transactivation activity at PPARgamma (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50127923
PNG
(5-{4-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-3-pr...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1CCC)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C30H33NO5S/c1-3-9-21-19-23(28-29(32)31-30(33)37-28)13-15-26(21)34-17-8-18-35-27-16-14-25(20-22(27)10-4-2)36-24-11-6-5-7-12-24/h5-7,11-16,19-20,32H,3-4,8-10,17-18H2,1-2H3,(H,31,33)
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Article
n/an/an/an/a 200n/an/an/an/a


TBA

Assay Description
Transactivation activity at Homo sapiens (human) PPARgamma


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
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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Article
n/an/an/an/a 20n/an/an/an/a


TBA

Assay Description
Transactivation activity at Homo sapiens (human) PPARgamma


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50487773
PNG
(CHEMBL2263564)
Show SMILES CCOC(=O)CN1C(=O)SC(Cc2ccc(cc2)C(F)(F)F)C1=O
Show InChI InChI=1S/C15H14F3NO4S/c1-2-23-12(20)8-19-13(21)11(24-14(19)22)7-9-3-5-10(6-4-9)15(16,17)18/h3-6,11H,2,7-8H2,1H3
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Article
n/an/an/an/a 9.00E+3n/an/an/an/a


TBA

Assay Description
Transactivation activity at PPARgamma (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50487774
PNG
(CHEMBL2263553)
Show SMILES CCOC(=O)CN1C(=O)S\C(=C/c2ccc(cc2)C(F)(F)F)C1=O
Show InChI InChI=1S/C15H12F3NO4S/c1-2-23-12(20)8-19-13(21)11(24-14(19)22)7-9-3-5-10(6-4-9)15(16,17)18/h3-7H,2,8H2,1H3/b11-7-
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Article
n/an/an/an/a 1.00E+4n/an/an/an/a


TBA

Assay Description
Transactivation activity at PPARgamma (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50085581
PNG
(5-(4-{2-[1-(4-Pyridin-2-yl-phenyl)-eth-(E)-ylidene...)
Show SMILES C\C(=N/OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C25H23N3O4S/c1-17(19-7-9-20(10-8-19)22-4-2-3-13-26-22)28-32-15-14-31-21-11-5-18(6-12-21)16-23-24(29)27-25(30)33-23/h2-13,29H,14-16H2,1H3,(H,27,30)/b28-17+
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Article
n/an/an/an/a 640n/an/an/an/a


TBA

Assay Description
Transactivation activity at PPARgamma (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
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