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Compile Data Set for Download or QSAR

Found 652 hits Enz. Inhib. hit(s) with Target = 'Thyroid Hormone Receptor (TR-alpha)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18860
PNG
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O
Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
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0.220n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from recombinant thyroid hormone receptor alpha (unknown origin) expressed in sf9 cells by scintillation proximity assay


Proc Natl Acad Sci U S A 104: 15490-5 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18860
PNG
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O
Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
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0.330n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assay


J Med Chem 51: 7075-93 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50063689
PNG
(CHEMBL3397337)
Show SMILES CC(C)c1cc(Cn2ccc3cc(OCC(O)=O)cc(Cl)c23)ccc1O
Show InChI InChI=1S/C20H20ClNO4/c1-12(2)16-7-13(3-4-18(16)23)10-22-6-5-14-8-15(26-11-19(24)25)9-17(21)20(14)22/h3-9,12,23H,10-11H2,1-2H3,(H,24,25)
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0.350n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...


Bioorg Med Chem Lett 25: 1377-80 (2015)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50063687
PNG
(CHEMBL3397339)
Show SMILES CC(C)c1cc(Cn2c(C)cc3cc(OCC(O)=O)cc(Cl)c23)ccc1O
Show InChI InChI=1S/C21H22ClNO4/c1-12(2)17-7-14(4-5-19(17)24)10-23-13(3)6-15-8-16(27-11-20(25)26)9-18(22)21(15)23/h4-9,12,24H,10-11H2,1-3H3,(H,25,26)
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0.380n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...


Bioorg Med Chem Lett 25: 1377-80 (2015)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50036402
PNG
(CHEMBL46882 | N-[3,5-dimethyl-4-(4'-hydroxy-3'-iso...)
Show SMILES CC(C)c1cc(Oc2c(C)cc(NC(=O)C(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C19H21NO5/c1-10(2)15-9-14(5-6-16(15)21)25-17-11(3)7-13(8-12(17)4)20-18(22)19(23)24/h5-10,21H,1-4H3,(H,20,22)(H,23,24)
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0.510n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assay


J Med Chem 51: 7075-93 (2009)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50063755
PNG
(CHEMBL3397341)
Show SMILES CC(C)c1cc(Cn2cc(C)c3cc(OCC(O)=O)cc(Cl)c23)ccc1O
Show InChI InChI=1S/C21H22ClNO4/c1-12(2)16-6-14(4-5-19(16)24)10-23-9-13(3)17-7-15(27-11-20(25)26)8-18(22)21(17)23/h4-9,12,24H,10-11H2,1-3H3,(H,25,26)
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0.510n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...


Bioorg Med Chem Lett 25: 1377-80 (2015)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50304777
PNG
(2-(4-(7-hydroxy-2,3-dihydro-1H-inden-4-yloxy)-3,5-...)
Show SMILES Cc1cc(NC(=O)C(O)=O)cc(C)c1Oc1ccc(O)c2CCCc12
Show InChI InChI=1S/C19H19NO5/c1-10-8-12(20-18(22)19(23)24)9-11(2)17(10)25-16-7-6-15(21)13-4-3-5-14(13)16/h6-9,21H,3-5H2,1-2H3,(H,20,22)(H,23,24)
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0.700n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to thyroid receptor alpha


Bioorg Med Chem Lett 20: 306-8 (2010)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50115668
PNG
(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23)
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1.09n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assay


J Med Chem 51: 7075-93 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50063690
PNG
(CHEMBL3397336)
Show SMILES CC(C)c1cc(Cn2ccc3cc(OCC(O)=O)cc(C)c23)ccc1O
Show InChI InChI=1S/C21H23NO4/c1-13(2)18-9-15(4-5-19(18)23)11-22-7-6-16-10-17(26-12-20(24)25)8-14(3)21(16)22/h4-10,13,23H,11-12H2,1-3H3,(H,24,25)
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1.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...


Bioorg Med Chem Lett 25: 1377-80 (2015)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50274809
PNG
(3,5-Diiodo-4-(4'-hydroxy-3'-isopropylphenoxy)benzy...)
Show SMILES CC(C)c1cc(Oc2c(I)cc(CP(O)(O)=O)cc2I)ccc1O
Show InChI InChI=1S/C16H17I2O5P/c1-9(2)12-7-11(3-4-15(12)19)23-16-13(17)5-10(6-14(16)18)8-24(20,21)22/h3-7,9,19H,8H2,1-2H3,(H2,20,21,22)
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1.84n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assay


J Med Chem 51: 7075-93 (2009)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50063688
PNG
(CHEMBL3397338)
Show SMILES CC(C)c1cc(Cn2c(C)cc3cc(OCC(O)=O)cc(C)c23)ccc1O
Show InChI InChI=1S/C22H25NO4/c1-13(2)19-9-16(5-6-20(19)24)11-23-15(4)8-17-10-18(27-12-21(25)26)7-14(3)22(17)23/h5-10,13,24H,11-12H2,1-4H3,(H,25,26)
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2.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...


Bioorg Med Chem Lett 25: 1377-80 (2015)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50304778
PNG
(3-(3-chloro-4-(3-(cyclobutylmethylsulfonyl)-4-hydr...)
Show SMILES Cc1cc(NC(=O)CC(O)=O)cc(Cl)c1Oc1ccc(O)c(c1)S(=O)(=O)CC1CCC1
Show InChI InChI=1S/C21H22ClNO7S/c1-12-7-14(23-19(25)10-20(26)27)8-16(22)21(12)30-15-5-6-17(24)18(9-15)31(28,29)11-13-3-2-4-13/h5-9,13,24H,2-4,10-11H2,1H3,(H,23,25)(H,26,27)
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2.10n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to thyroid receptor alpha


Bioorg Med Chem Lett 20: 306-8 (2010)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18860
PNG
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O
Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-T3 from human TRalpha expressed in insect cells after 16 to 48 hrs by gamma-counting


Bioorg Med Chem 21: 592-607 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18860
PNG
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O
Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
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2.33n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from human recombinant thyroid harmone receptor alpha after 16 to 48 hrs by gamma-ray detection


Bioorg Med Chem 20: 3622-34 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50385111
PNG
(CHEMBL2035881)
Show SMILES CC(C)c1cc(Oc2c3CCCc3c(NC(=O)C(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C21H23NO5/c1-11(2)16-10-13(7-8-18(16)23)27-19-12(3)9-17(22-20(24)21(25)26)14-5-4-6-15(14)19/h7-11,23H,4-6H2,1-3H3,(H,22,24)(H,25,26)
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2.45n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from human recombinant thyroid harmone receptor alpha after 16 to 48 hrs by gamma-ray detection


Bioorg Med Chem 20: 3622-34 (2012)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50063686
PNG
(CHEMBL3397340)
Show SMILES CC(C)c1cc(Cn2cc(C)c3cc(OCC(O)=O)cc(C)c23)ccc1O
Show InChI InChI=1S/C22H25NO4/c1-13(2)18-8-16(5-6-20(18)24)11-23-10-15(4)19-9-17(27-12-21(25)26)7-14(3)22(19)23/h5-10,13,24H,11-12H2,1-4H3,(H,25,26)
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2.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...


Bioorg Med Chem Lett 25: 1377-80 (2015)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50304781
PNG
(2-(4-(3-(4-fluorobenzyl)-4-hydroxyphenoxy)-3,5-dim...)
Show SMILES Cc1cc(cc(C)c1Oc1ccc(O)c(Cc2ccc(F)cc2)c1)-n1ncc(=O)[nH]c1=O
Show InChI InChI=1S/C24H20FN3O4/c1-14-9-19(28-24(31)27-22(30)13-26-28)10-15(2)23(14)32-20-7-8-21(29)17(12-20)11-16-3-5-18(25)6-4-16/h3-10,12-13,29H,11H2,1-2H3,(H,27,30,31)
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3n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to thyroid receptor alpha


Bioorg Med Chem Lett 20: 306-8 (2010)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50274812
PNG
(CHEMBL457528 | [3,5-Diiodo-4-(4'-hydroxy-3'-isopro...)
Show SMILES CC(C)c1cc(Oc2c(I)cc(OCP(O)(O)=O)cc2I)ccc1O
Show InChI InChI=1S/C16H17I2O6P/c1-9(2)12-5-10(3-4-15(12)19)24-16-13(17)6-11(7-14(16)18)23-8-25(20,21)22/h3-7,9,19H,8H2,1-2H3,(H2,20,21,22)
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3.74n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assay


J Med Chem 51: 7075-93 (2009)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18869
PNG
(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)
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7.18n/an/an/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to TRalpha1


J Med Chem 55: 5649-75 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18869
PNG
(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)
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7.18n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from recombinant thyroid hormone receptor alpha (unknown origin) expressed in sf9 cells by scintillation proximity assay


Proc Natl Acad Sci U S A 104: 15490-5 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50063691
PNG
(CHEMBL3397335)
Show SMILES CC(C)c1cc(Cn2cc(C)c3cc(OCC(O)=O)ccc23)ccc1O
Show InChI InChI=1S/C21H23NO4/c1-13(2)17-8-15(4-7-20(17)23)11-22-10-14(3)18-9-16(5-6-19(18)22)26-12-21(24)25/h4-10,13,23H,11-12H2,1-3H3,(H,24,25)
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7.70n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...


Bioorg Med Chem Lett 25: 1377-80 (2015)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18869
PNG
(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)
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7.79n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assay


J Med Chem 51: 7075-93 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50304780
PNG
(2-(3,5-dichloro-4-(3-(4-fluorobenzyl)-4-hydroxyphe...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1Cc1ccc(F)cc1
Show InChI InChI=1S/C22H14Cl2FN3O4/c23-17-9-15(28-22(31)27-20(30)11-26-28)10-18(24)21(17)32-16-5-6-19(29)13(8-16)7-12-1-3-14(25)4-2-12/h1-6,8-11,29H,7H2,(H,27,30,31)
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8n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to thyroid receptor alpha


Bioorg Med Chem Lett 20: 306-8 (2010)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50036421
PNG
((S)-2-Amino-3-{3,5-dibromo-4-[4-hydroxy-3-(6-oxo-1...)
Show SMILES N[C@@H](Cc1cc(Br)c(Oc2ccc(O)c(Cc3ccc(=O)[nH]n3)c2)c(Br)c1)C(O)=O
Show InChI InChI=1S/C20H17Br2N3O5/c21-14-5-10(7-16(23)20(28)29)6-15(22)19(14)30-13-2-3-17(26)11(9-13)8-12-1-4-18(27)25-24-12/h1-6,9,16,26H,7-8,23H2,(H,25,27)(H,28,29)/t16-/m0/s1
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8.70n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-T3 from human TRalpha expressed in insect cells after 16 to 48 hrs by gamma-counting


Bioorg Med Chem 21: 592-607 (2013)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50385105
PNG
(CHEMBL2035874)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(NC(=O)CC(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C18H17Br2NO5/c1-9(2)12-7-11(3-4-15(12)22)26-18-13(19)5-10(6-14(18)20)21-16(23)8-17(24)25/h3-7,9,22H,8H2,1-2H3,(H,21,23)(H,24,25)
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9.60n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from human recombinant thyroid harmone receptor alpha after 16 to 48 hrs by gamma-ray detection


Bioorg Med Chem 20: 3622-34 (2012)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50063754
PNG
(CHEMBL3397342)
Show SMILES Cc1cn(Cc2ccc(O)c(c2)C(C)(C)C)c2ccc(OCC(O)=O)cc12
Show InChI InChI=1S/C22H25NO4/c1-14-11-23(12-15-5-8-20(24)18(9-15)22(2,3)4)19-7-6-16(10-17(14)19)27-13-21(25)26/h5-11,24H,12-13H2,1-4H3,(H,25,26)
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10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...


Bioorg Med Chem Lett 25: 1377-80 (2015)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50274846
PNG
(CHEMBL511862 | [3,5-Dibromo-4-(4'-hydroxy-3'-isopr...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(NCP(O)(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C16H18Br2NO5P/c1-9(2)12-7-11(3-4-15(12)20)24-16-13(17)5-10(6-14(16)18)19-8-25(21,22)23/h3-7,9,19-20H,8H2,1-2H3,(H2,21,22,23)
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10.3n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assay


J Med Chem 51: 7075-93 (2009)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50063693
PNG
(CHEMBL3397333)
Show SMILES CC(C)c1cc(Cn2ccc3cc(OCC(O)=O)ccc23)ccc1O
Show InChI InChI=1S/C20H21NO4/c1-13(2)17-9-14(3-6-19(17)22)11-21-8-7-15-10-16(4-5-18(15)21)25-12-20(23)24/h3-10,13,22H,11-12H2,1-2H3,(H,23,24)
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13n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...


Bioorg Med Chem Lett 25: 1377-80 (2015)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50063692
PNG
(CHEMBL3397334)
Show SMILES CC(C)c1cc(Cn2c(C)cc3cc(OCC(O)=O)ccc23)ccc1O
Show InChI InChI=1S/C21H23NO4/c1-13(2)18-9-15(4-7-20(18)23)11-22-14(3)8-16-10-17(5-6-19(16)22)26-12-21(24)25/h4-10,13,23H,11-12H2,1-3H3,(H,24,25)
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16n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...


Bioorg Med Chem Lett 25: 1377-80 (2015)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50274810
PNG
(3,5-Diiodo-4-(4'-hydroxy-3'-iodophenoxy)benzylphos...)
Show SMILES Oc1ccc(Oc2c(I)cc(CP(O)(O)=O)cc2I)cc1I
Show InChI InChI=1S/C13H10I3O5P/c14-9-5-8(1-2-12(9)17)21-13-10(15)3-7(4-11(13)16)6-22(18,19)20/h1-5,17H,6H2,(H2,18,19,20)
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16n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assay


J Med Chem 51: 7075-93 (2009)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50274811
PNG
(CHEMBL457527 | [3,5-Dibromo-4-(4'-hydroxy-3'-isopr...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(OCP(O)(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C16H17Br2O6P/c1-9(2)12-5-10(3-4-15(12)19)24-16-13(17)6-11(7-14(16)18)23-8-25(20,21)22/h3-7,9,19H,8H2,1-2H3,(H2,20,21,22)
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18.6n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assay


J Med Chem 51: 7075-93 (2009)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50123049
PNG
(2-(3,5-dichloro-4-(4-hydroxy-3-(piperidine-1-carbo...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CCCCC1
Show InChI InChI=1S/C21H18Cl2N4O5/c22-15-8-12(27-21(31)25-18(29)11-24-27)9-16(23)19(15)32-13-4-5-17(28)14(10-13)20(30)26-6-2-1-3-7-26/h4-5,8-11,28H,1-3,6-7H2,(H,25,29,31)
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20n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to thyroid receptor alpha


Bioorg Med Chem Lett 20: 306-8 (2010)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50385101
PNG
(CHEMBL2035876)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(NC(=O)CC(O)=O)c(Cl)c2Cl)ccc1O
Show InChI InChI=1S/C18H16Cl3NO5/c1-8(2)10-5-9(3-4-13(10)23)27-18-11(19)6-12(16(20)17(18)21)22-14(24)7-15(25)26/h3-6,8,23H,7H2,1-2H3,(H,22,24)(H,25,26)
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24.4n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from human recombinant thyroid harmone receptor alpha after 16 to 48 hrs by gamma-ray detection


Bioorg Med Chem 20: 3622-34 (2012)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50275291
PNG
(CHEMBL485758 | [4-(4'-Hydroxy-3'-isopropylbenzyl)-...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(NCP(O)(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C19H26NO4P/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)20-11-25(22,23)24/h5-9,12,20-21H,10-11H2,1-4H3,(H2,22,23,24)
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28.4n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assay


J Med Chem 51: 7075-93 (2009)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50275257
PNG
(CHEMBL448595 | [3,5-Dimethyl-4-(3'-sec-butyl-4'-hy...)
Show SMILES CCC(C)c1cc(Cc2c(C)cc(OCP(O)(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C20H27O5P/c1-5-13(2)19-11-16(6-7-20(19)21)10-18-14(3)8-17(9-15(18)4)25-12-26(22,23)24/h6-9,11,13,21H,5,10,12H2,1-4H3,(H2,22,23,24)
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30.5n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assay


J Med Chem 51: 7075-93 (2009)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50425407
PNG
(CHEMBL2312281)
Show SMILES Cc1cc(NC(=O)CC(O)=O)c2CCCc2c1Oc1ccc(O)c(Cc2ccc(F)cc2)c1
Show InChI InChI=1S/C26H24FNO5/c1-15-11-22(28-24(30)14-25(31)32)20-3-2-4-21(20)26(15)33-19-9-10-23(29)17(13-19)12-16-5-7-18(27)8-6-16/h5-11,13,29H,2-4,12,14H2,1H3,(H,28,30)(H,31,32)
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31n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-T3 from human TRalpha expressed in insect cells after 16 to 48 hrs by gamma-counting


Bioorg Med Chem 21: 592-607 (2013)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50063751
PNG
(CHEMBL3397344)
Show SMILES Cc1cn(Cc2ccc(O)c(c2)C2CCCC2)c2ccc(OCC(O)=O)cc12
Show InChI InChI=1S/C23H25NO4/c1-15-12-24(21-8-7-18(11-19(15)21)28-14-23(26)27)13-16-6-9-22(25)20(10-16)17-4-2-3-5-17/h6-12,17,25H,2-5,13-14H2,1H3,(H,26,27)
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32n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...


Bioorg Med Chem Lett 25: 1377-80 (2015)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50242403
PNG
((3,5-dimethyl-4-(4-hydroxy-3-isopropylbenzyl)pheno...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCP(O)(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C19H25O5P/c1-12(2)17-9-15(5-6-19(17)20)10-18-13(3)7-16(8-14(18)4)24-11-25(21,22)23/h5-9,12,20H,10-11H2,1-4H3,(H2,21,22,23)
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35.2n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from recombinant thyroid hormone receptor alpha (unknown origin) expressed in sf9 cells by scintillation proximity assay


Proc Natl Acad Sci U S A 104: 15490-5 (2007)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50242403
PNG
((3,5-dimethyl-4-(4-hydroxy-3-isopropylbenzyl)pheno...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCP(O)(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C19H25O5P/c1-12(2)17-9-15(5-6-19(17)20)10-18-13(3)7-16(8-14(18)4)24-11-25(21,22)23/h5-9,12,20H,10-11H2,1-4H3,(H2,21,22,23)
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35.2n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assay


J Med Chem 51: 7075-93 (2009)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50063752
PNG
(CHEMBL3397343)
Show SMILES Cc1cn(Cc2ccc(O)c(Cc3ccccc3)c2)c2ccc(OCC(O)=O)cc12
Show InChI InChI=1S/C25H23NO4/c1-17-14-26(23-9-8-21(13-22(17)23)30-16-25(28)29)15-19-7-10-24(27)20(12-19)11-18-5-3-2-4-6-18/h2-10,12-14,27H,11,15-16H2,1H3,(H,28,29)
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37n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...


Bioorg Med Chem Lett 25: 1377-80 (2015)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50036399
PNG
(Axitirome | CHEMBL159682 | N-(4-{3-[(4-Fluoro-phen...)
Show SMILES CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc(O)c(c2)C(O)c2ccc(F)cc2)c(C)c1
Show InChI InChI=1S/C25H24FNO6/c1-4-32-25(31)24(30)27-18-11-14(2)23(15(3)12-18)33-19-9-10-21(28)20(13-19)22(29)16-5-7-17(26)8-6-16/h5-13,22,28-29H,4H2,1-3H3,(H,27,30)
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40n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-T3 from human TRalpha expressed in insect cells after 16 to 48 hrs by gamma-counting


Bioorg Med Chem 21: 592-607 (2013)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50275295
PNG
(2-[3,5-Dibromo-4-(4'-hydroxy-3'-isopropylphenoxy)p...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(CCP(O)(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C17H19Br2O5P/c1-10(2)13-9-12(3-4-16(13)20)24-17-14(18)7-11(8-15(17)19)5-6-25(21,22)23/h3-4,7-10,20H,5-6H2,1-2H3,(H2,21,22,23)
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42.1n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assay


J Med Chem 51: 7075-93 (2009)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50063750
PNG
(CHEMBL3397345)
Show SMILES Cc1cn(Cc2ccc(O)c(CC3CCCCC3)c2)c2ccc(OCC(O)=O)cc12
Show InChI InChI=1S/C25H29NO4/c1-17-14-26(23-9-8-21(13-22(17)23)30-16-25(28)29)15-19-7-10-24(27)20(12-19)11-18-5-3-2-4-6-18/h7-10,12-14,18,27H,2-6,11,15-16H2,1H3,(H,28,29)
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47n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...


Bioorg Med Chem Lett 25: 1377-80 (2015)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50275228
PNG
(CHEMBL485928 | [3,5-Dimethyl-4-(3'-ethyl-4'-hydrox...)
Show SMILES CCc1cc(Cc2c(C)cc(OCP(O)(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C18H23O5P/c1-4-15-9-14(5-6-18(15)19)10-17-12(2)7-16(8-13(17)3)23-11-24(20,21)22/h5-9,19H,4,10-11H2,1-3H3,(H2,20,21,22)
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61.6n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assay


J Med Chem 51: 7075-93 (2009)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50385109
PNG
(CHEMBL2035879)
Show SMILES CC(C)c1cc(Oc2c3CCCc3c(NC(=O)CC(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C21H22BrNO5/c1-11(2)15-8-12(6-7-18(15)24)28-21-14-5-3-4-13(14)17(9-16(21)22)23-19(25)10-20(26)27/h6-9,11,24H,3-5,10H2,1-2H3,(H,23,25)(H,26,27)
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69.3n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from human recombinant thyroid harmone receptor alpha after 16 to 48 hrs by gamma-ray detection


Bioorg Med Chem 20: 3622-34 (2012)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50063695
PNG
(CHEMBL3397346)
Show SMILES Cc1cn(Cc2ccc(O)c(c2)-c2ccccc2)c2ccc(OCC(O)=O)cc12
Show InChI InChI=1S/C24H21NO4/c1-16-13-25(22-9-8-19(12-20(16)22)29-15-24(27)28)14-17-7-10-23(26)21(11-17)18-5-3-2-4-6-18/h2-13,26H,14-15H2,1H3,(H,27,28)
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90n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...


Bioorg Med Chem Lett 25: 1377-80 (2015)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50425406
PNG
(CHEMBL2312262)
Show SMILES Cc1cc(NC(=O)CC(O)=O)c2CCCc2c1Oc1ccc(O)c(Cc2ccc(=O)[nH]n2)c1
Show InChI InChI=1S/C24H23N3O6/c1-13-9-19(25-22(30)12-23(31)32)17-3-2-4-18(17)24(13)33-16-6-7-20(28)14(11-16)10-15-5-8-21(29)27-26-15/h5-9,11,28H,2-4,10,12H2,1H3,(H,25,30)(H,27,29)(H,31,32)
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92n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-T3 from human TRalpha expressed in insect cells after 16 to 48 hrs by gamma-counting


Bioorg Med Chem 21: 592-607 (2013)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50304779
PNG
(2-(3,5-dichloro-4-(4-hydroxy-3-(1,2,3,4-tetrahydro...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C25H18Cl2N4O5/c26-19-9-16(31-25(35)29-22(33)12-28-31)10-20(27)23(19)36-17-5-6-21(32)18(11-17)24(34)30-8-7-14-3-1-2-4-15(14)13-30/h1-6,9-12,32H,7-8,13H2,(H,29,33,35)
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126n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to thyroid receptor alpha


Bioorg Med Chem Lett 20: 306-8 (2010)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50385102
PNG
(CHEMBL2035882)
Show SMILES CC(C)c1cc(Oc2c3CCCc3c(cc2C)C(=O)NCC(O)=O)ccc1O
Show InChI InChI=1S/C22H25NO5/c1-12(2)17-10-14(7-8-19(17)24)28-21-13(3)9-18(15-5-4-6-16(15)21)22(27)23-11-20(25)26/h7-10,12,24H,4-6,11H2,1-3H3,(H,23,27)(H,25,26)
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127n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from human recombinant thyroid harmone receptor alpha after 16 to 48 hrs by gamma-ray detection


Bioorg Med Chem 20: 3622-34 (2012)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50275005
PNG
(CHEMBL458784 | [4-(4'-Hydroxy-3'-isopropylphenoxy)...)
Show SMILES CC(C)c1cc(Oc2c(C)cc(SCP(O)(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C18H23O5PS/c1-11(2)16-9-14(5-6-17(16)19)23-18-12(3)7-15(8-13(18)4)25-10-24(20,21)22/h5-9,11,19H,10H2,1-4H3,(H2,20,21,22)
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143n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assay


J Med Chem 51: 7075-93 (2009)

More data for this
Ligand-Target Pair
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