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Compile Data Set for Download or QSAR

Found 37 hits of kd data for polymerid = 1949,1951,1953   
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
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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n/an/an/a 0.0580n/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from human TRalpha receptor


Bioorg Med Chem 16: 762-70 (2008)


Article DOI: 10.1016/j.bmc.2007.10.040
BindingDB Entry DOI: 10.7270/Q2RR2034
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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n/an/an/a 0.0580n/an/an/an/an/a



University of California-San Francisco



Assay Description
Thyroid hormone competitive binding assay using TNT T7 quick-coupled transcription translation system from promega.


ACS Chem Biol 1: 585-93 (2006)


Article DOI: 10.1021/cb600311v
BindingDB Entry DOI: 10.7270/Q23N21R4
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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n/an/an/a 0.0580n/an/an/an/an/a



University of California, San Francisco



Assay Description
Human thyroid hormone receptor alpha and beta (hTR alpha1) and (hTR beta1) were produced using TNT coupled reticulocyte lysate system from Promega.


Chem Biol 5: 299-306 (1998)


Article DOI: 10.1124/jpet.103.063313
BindingDB Entry DOI: 10.7270/Q2W0949S
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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n/an/an/a 0.0600n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against Thyroid hormone receptor alpha1


J Med Chem 46: 3152-61 (2003)


Article DOI: 10.1021/jm0301181
BindingDB Entry DOI: 10.7270/Q2NK3DF9
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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n/an/an/a 0.100n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity against human Thyroid hormone receptor alpha1 (hTRalpha1) using radiolabeled T3


J Med Chem 45: 3310-20 (2002)


Article DOI: 10.1021/jm0201013
BindingDB Entry DOI: 10.7270/Q20G3JHX
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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n/an/an/a 0.170n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards thyroid hormone receptor (hTR alpha 1)


Bioorg Med Chem Lett 11: 2821-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00521-2
BindingDB Entry DOI: 10.7270/Q21Z43QR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/an/a 0.440n/an/an/an/an/a



University of California, San Francisco



Assay Description
Human thyroid hormone receptor alpha and beta (hTR alpha1) and (hTR beta1) were produced using TNT coupled reticulocyte lysate system from Promega.


Chem Biol 5: 299-306 (1998)


Article DOI: 10.1124/jpet.103.063313
BindingDB Entry DOI: 10.7270/Q2W0949S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/an/a 0.660n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against Thyroid hormone receptor alpha1


J Med Chem 46: 3152-61 (2003)


Article DOI: 10.1021/jm0301181
BindingDB Entry DOI: 10.7270/Q2NK3DF9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50130594
PNG
(3-[4-(4-Hydroxy-3-isopropyl-benzyl)-3,5-dimethyl-p...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(CCC(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C21H26O3/c1-13(2)18-11-17(5-7-20(18)22)12-19-14(3)9-16(10-15(19)4)6-8-21(23)24/h5,7,9-11,13,22H,6,8,12H2,1-4H3,(H,23,24)
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n/an/an/a 0.690n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against Thyroid hormone receptor alpha1


J Med Chem 46: 3152-61 (2003)


Article DOI: 10.1021/jm0301181
BindingDB Entry DOI: 10.7270/Q2NK3DF9
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM36487
PNG
(CHEMBL263630 | CO23)
Show SMILES CC(C)c1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O
Show InChI InChI=1S/C19H18I2N2O4/c1-9(2)12-8-11(3-4-16(12)24)27-17-13(20)5-10(6-14(17)21)7-15-18(25)23-19(26)22-15/h3-6,8-9,24-25H,7H2,1-2H3,(H2,22,23,26)
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n/an/an/a 1.20n/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from human TRalpha receptor


Bioorg Med Chem 16: 762-70 (2008)


Article DOI: 10.1016/j.bmc.2007.10.040
BindingDB Entry DOI: 10.7270/Q2RR2034
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM36487
PNG
(CHEMBL263630 | CO23)
Show SMILES CC(C)c1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O
Show InChI InChI=1S/C19H18I2N2O4/c1-9(2)12-8-11(3-4-16(12)24)27-17-13(20)5-10(6-14(17)21)7-15-18(25)23-19(26)22-15/h3-6,8-9,24-25H,7H2,1-2H3,(H2,22,23,26)
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n/an/an/a 1.20n/an/an/an/an/a



University of California-San Francisco



Assay Description
Thyroid hormone competitive binding assay using TNT T7 quick-coupled transcription translation system from promega.


ACS Chem Biol 1: 585-93 (2006)


Article DOI: 10.1021/cb600311v
BindingDB Entry DOI: 10.7270/Q23N21R4
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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n/an/an/a 1.80n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity against human Thyroid hormone receptor alpha1 (hTRalpha1) using radiolabeled T3


J Med Chem 45: 3310-20 (2002)


Article DOI: 10.1021/jm0201013
BindingDB Entry DOI: 10.7270/Q20G3JHX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50130597
PNG
(2-Amino-3-[4-(4-hydroxy-3-isopropyl-benzyl)-3,5-di...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(C[C@H](N)C(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C21H27NO3/c1-12(2)17-9-15(5-6-20(17)23)10-18-13(3)7-16(8-14(18)4)11-19(22)21(24)25/h5-9,12,19,23H,10-11,22H2,1-4H3,(H,24,25)/t19-/m0/s1
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n/an/an/a 2.02n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against Thyroid hormone receptor alpha1


J Med Chem 46: 3152-61 (2003)


Article DOI: 10.1021/jm0301181
BindingDB Entry DOI: 10.7270/Q2NK3DF9
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50130596
PNG
(CHEMBL419016 | [4-(4-Hydroxy-3-isopropyl-phenoxy)-...)
Show SMILES CC(C)c1cc(Oc2c(C)cc(OCC(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C19H22O5/c1-11(2)16-9-14(5-6-17(16)20)24-19-12(3)7-15(8-13(19)4)23-10-18(21)22/h5-9,11,20H,10H2,1-4H3,(H,21,22)
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n/an/an/a 2.40n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against Thyroid hormone receptor alpha1


J Med Chem 46: 3152-61 (2003)


Article DOI: 10.1021/jm0301181
BindingDB Entry DOI: 10.7270/Q2NK3DF9
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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n/an/an/a 2.5n/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to human TRalpha1


J Med Chem 55: 5649-75 (2012)


Article DOI: 10.1021/jm2004706
BindingDB Entry DOI: 10.7270/Q2DZ09FJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50115666
PNG
(CHEMBL109430 | {4-[4-Hydroxy-3-isopropyl-5-(4-pent...)
Show SMILES CCCCCc1ccc(cc1)C#Cc1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(C(C)C)c1O
Show InChI InChI=1S/C33H38O4/c1-6-7-8-9-25-10-12-26(13-11-25)14-15-28-18-27(19-30(22(2)3)33(28)36)20-31-23(4)16-29(17-24(31)5)37-21-32(34)35/h10-13,16-19,22,36H,6-9,20-21H2,1-5H3,(H,34,35)
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n/an/an/a 5.20n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity against human Thyroid hormone receptor alpha1 (hTRalpha1) using radiolabeled T3


J Med Chem 45: 3310-20 (2002)


Article DOI: 10.1021/jm0201013
BindingDB Entry DOI: 10.7270/Q20G3JHX
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50130595
PNG
(2-Amino-3-[4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-d...)
Show SMILES CC(C)c1cc(Oc2c(C)cc(C[C@H](N)C(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C20H25NO4/c1-11(2)16-10-15(5-6-18(16)22)25-19-12(3)7-14(8-13(19)4)9-17(21)20(23)24/h5-8,10-11,17,22H,9,21H2,1-4H3,(H,23,24)/t17-/m0/s1
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n/an/an/a 8.5n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against Thyroid hormone receptor alpha1


J Med Chem 46: 3152-61 (2003)


Article DOI: 10.1021/jm0301181
BindingDB Entry DOI: 10.7270/Q2NK3DF9
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50130595
PNG
(2-Amino-3-[4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-d...)
Show SMILES CC(C)c1cc(Oc2c(C)cc(C[C@H](N)C(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C20H25NO4/c1-11(2)16-10-15(5-6-18(16)22)25-19-12(3)7-14(8-13(19)4)9-17(21)20(23)24/h5-8,10-11,17,22H,9,21H2,1-4H3,(H,23,24)/t17-/m0/s1
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n/an/an/a 9.70n/an/an/an/an/a



University of California, San Francisco



Assay Description
Human thyroid hormone receptor alpha and beta (hTR alpha1) and (hTR beta1) were produced using TNT coupled reticulocyte lysate system from Promega.


Chem Biol 5: 299-306 (1998)


Article DOI: 10.1124/jpet.103.063313
BindingDB Entry DOI: 10.7270/Q2W0949S
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50375345
PNG
(CHEMBL264153)
Show SMILES CCc1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O
Show InChI InChI=1S/C18H16I2N2O4/c1-2-10-8-11(3-4-15(10)23)26-16-12(19)5-9(6-13(16)20)7-14-17(24)22-18(25)21-14/h3-6,8,23-24H,2,7H2,1H3,(H2,21,22,25)
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n/an/an/a 15n/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from human TRalpha receptor


Bioorg Med Chem 16: 762-70 (2008)


Article DOI: 10.1016/j.bmc.2007.10.040
BindingDB Entry DOI: 10.7270/Q2RR2034
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50375350
PNG
(CHEMBL263631)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(Cc3[nH]c(=O)[nH]c3O)cc2Br)ccc1O
Show InChI InChI=1S/C19H18Br2N2O4/c1-9(2)12-8-11(3-4-16(12)24)27-17-13(20)5-10(6-14(17)21)7-15-18(25)23-19(26)22-15/h3-6,8-9,24-25H,7H2,1-2H3,(H2,22,23,26)
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n/an/an/a 17n/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from human TRalpha receptor


Bioorg Med Chem 16: 762-70 (2008)


Article DOI: 10.1016/j.bmc.2007.10.040
BindingDB Entry DOI: 10.7270/Q2RR2034
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50375343
PNG
(CHEMBL259096)
Show SMILES Oc1[nH]c(=O)[nH]c1Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
Show InChI InChI=1S/C16H11I3N2O4/c17-9-6-8(1-2-13(9)22)25-14-10(18)3-7(4-11(14)19)5-12-15(23)21-16(24)20-12/h1-4,6,22-23H,5H2,(H2,20,21,24)
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n/an/an/a 24n/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from human TRalpha receptor


Bioorg Med Chem 16: 762-70 (2008)


Article DOI: 10.1016/j.bmc.2007.10.040
BindingDB Entry DOI: 10.7270/Q2RR2034
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50375349
PNG
(CHEMBL260482)
Show SMILES Oc1[nH]c(=O)[nH]c1Cc1cc(I)c(Oc2ccc(O)c(c2)C2CC2)c(I)c1
Show InChI InChI=1S/C19H16I2N2O4/c20-13-5-9(7-15-18(25)23-19(26)22-15)6-14(21)17(13)27-11-3-4-16(24)12(8-11)10-1-2-10/h3-6,8,10,24-25H,1-2,7H2,(H2,22,23,26)
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n/an/an/a 25n/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from human TRalpha receptor


Bioorg Med Chem 16: 762-70 (2008)


Article DOI: 10.1016/j.bmc.2007.10.040
BindingDB Entry DOI: 10.7270/Q2RR2034
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50375346
PNG
(CHEMBL264152)
Show SMILES Cc1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O
Show InChI InChI=1S/C17H14I2N2O4/c1-8-4-10(2-3-14(8)22)25-15-11(18)5-9(6-12(15)19)7-13-16(23)21-17(24)20-13/h2-6,22-23H,7H2,1H3,(H2,20,21,24)
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n/an/an/a 42n/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from human TRalpha receptor


Bioorg Med Chem 16: 762-70 (2008)


Article DOI: 10.1016/j.bmc.2007.10.040
BindingDB Entry DOI: 10.7270/Q2RR2034
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50375342
PNG
(CHEMBL258886)
Show SMILES Oc1[nH]c(=O)[nH]c1Cc1cc(I)c(Oc2ccc(O)c(Br)c2)c(I)c1
Show InChI InChI=1S/C16H11BrI2N2O4/c17-9-6-8(1-2-13(9)22)25-14-10(18)3-7(4-11(14)19)5-12-15(23)21-16(24)20-12/h1-4,6,22-23H,5H2,(H2,20,21,24)
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n/an/an/a 43n/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from human TRalpha receptor


Bioorg Med Chem 16: 762-70 (2008)


Article DOI: 10.1016/j.bmc.2007.10.040
BindingDB Entry DOI: 10.7270/Q2RR2034
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50375347
PNG
(CHEMBL264410)
Show SMILES COc1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O
Show InChI InChI=1S/C17H14I2N2O5/c1-25-14-7-9(2-3-13(14)22)26-15-10(18)4-8(5-11(15)19)6-12-16(23)21-17(24)20-12/h2-5,7,22-23H,6H2,1H3,(H2,20,21,24)
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n/an/an/a 82n/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from human TRalpha receptor


Bioorg Med Chem 16: 762-70 (2008)


Article DOI: 10.1016/j.bmc.2007.10.040
BindingDB Entry DOI: 10.7270/Q2RR2034
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18885
PNG
(2-[4-({4-hydroxy-3-[2-(4-nitrophenyl)ethynyl]-5-(p...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(C#Cc2ccc(cc2)[N+]([O-])=O)c1O
Show InChI InChI=1S/C28H27NO6/c1-17(2)25-14-21(15-26-18(3)11-24(12-19(26)4)35-16-27(30)31)13-22(28(25)32)8-5-20-6-9-23(10-7-20)29(33)34/h6-7,9-14,17,32H,15-16H2,1-4H3,(H,30,31)
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n/an/an/a 93n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity against human Thyroid hormone receptor alpha1 (hTRalpha1) using radiolabeled T3


J Med Chem 45: 3310-20 (2002)


Article DOI: 10.1021/jm0201013
BindingDB Entry DOI: 10.7270/Q20G3JHX
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50105670
PNG
(CHEMBL318132 | {4-[11-(Butyl-methyl-carbamoyl)-1-(...)
Show SMILES CCCCN(C)C(=O)CCCCCCCCCCC(c1ccc(O)c(c1)C(C)C)c1c(C)cc(OCC(O)=O)cc1C
Show InChI InChI=1S/C36H55NO5/c1-7-8-21-37(6)34(39)18-16-14-12-10-9-11-13-15-17-31(29-19-20-33(38)32(24-29)26(2)3)36-27(4)22-30(23-28(36)5)42-25-35(40)41/h19-20,22-24,26,31,38H,7-18,21,25H2,1-6H3,(H,40,41)
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n/an/an/a 112n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards thyroid hormone receptor (hTR alpha 1)


Bioorg Med Chem Lett 11: 2821-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00521-2
BindingDB Entry DOI: 10.7270/Q21Z43QR
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18884
PNG
(2-(4-{[4-hydroxy-3-(4-nitrophenyl)-5-(propan-2-yl)...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(c1O)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C26H27NO6/c1-15(2)22-11-18(12-23-16(3)9-21(10-17(23)4)33-14-25(28)29)13-24(26(22)30)19-5-7-20(8-6-19)27(31)32/h5-11,13,15,30H,12,14H2,1-4H3,(H,28,29)
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n/an/an/a 200n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity against human Thyroid hormone receptor alpha1 (hTRalpha1) using radiolabeled T3


J Med Chem 45: 3310-20 (2002)


Article DOI: 10.1021/jm0201013
BindingDB Entry DOI: 10.7270/Q20G3JHX
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18884
PNG
(2-(4-{[4-hydroxy-3-(4-nitrophenyl)-5-(propan-2-yl)...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(c1O)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C26H27NO6/c1-15(2)22-11-18(12-23-16(3)9-21(10-17(23)4)33-14-25(28)29)13-24(26(22)30)19-5-7-20(8-6-19)27(31)32/h5-11,13,15,30H,12,14H2,1-4H3,(H,28,29)
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n/an/an/a 200n/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human TRalpha1


J Med Chem 55: 5649-75 (2012)


Article DOI: 10.1021/jm2004706
BindingDB Entry DOI: 10.7270/Q2DZ09FJ
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50105668
PNG
(CHEMBL264527 | {4-[11-(Butyl-methyl-carbamoyl)-1-(...)
Show SMILES CCCCN(C)C(=O)CCCCCC\C=C/CCC(c1ccc(O)c(c1)C(C)C)c1c(C)cc(OCC(O)=O)cc1C
Show InChI InChI=1S/C36H53NO5/c1-7-8-21-37(6)34(39)18-16-14-12-10-9-11-13-15-17-31(29-19-20-33(38)32(24-29)26(2)3)36-27(4)22-30(23-28(36)5)42-25-35(40)41/h11,13,19-20,22-24,26,31,38H,7-10,12,14-18,21,25H2,1-6H3,(H,40,41)/b13-11-
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n/an/an/a 240n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards thyroid hormone receptor (hTR alpha 1)


Bioorg Med Chem Lett 11: 2821-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00521-2
BindingDB Entry DOI: 10.7270/Q21Z43QR
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM36488
PNG
(CO22)
Show SMILES CC(C)c1cc(Oc2c(C)cc(Cc3[nH]c(=O)[nH]c3O)cc2C)ccc1O
Show InChI InChI=1S/C21H24N2O4/c1-11(2)16-10-15(5-6-18(16)24)27-19-12(3)7-14(8-13(19)4)9-17-20(25)23-21(26)22-17/h5-8,10-11,24-25H,9H2,1-4H3,(H2,22,23,26)
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n/an/an/a 286n/an/an/an/an/a



University of California-San Francisco



Assay Description
Thyroid hormone competitive binding assay using TNT T7 quick-coupled transcription translation system from promega.


ACS Chem Biol 1: 585-93 (2006)


Article DOI: 10.1021/cb600311v
BindingDB Entry DOI: 10.7270/Q23N21R4
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50115669
PNG
(CHEMBL110158 | {4-[3-(4-Amino-phenylethynyl)-4-hyd...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(C#Cc2ccc(N)cc2)c1O
Show InChI InChI=1S/C28H29NO4/c1-17(2)25-14-21(13-22(28(25)32)8-5-20-6-9-23(29)10-7-20)15-26-18(3)11-24(12-19(26)4)33-16-27(30)31/h6-7,9-14,17,32H,15-16,29H2,1-4H3,(H,30,31)
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n/an/an/a 330n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity against human Thyroid hormone receptor alpha1 (hTRalpha1) using radiolabeled T3


J Med Chem 45: 3310-20 (2002)


Article DOI: 10.1021/jm0201013
BindingDB Entry DOI: 10.7270/Q20G3JHX
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50105669
PNG
(CHEMBL97613 | {4-[1-(4-Hydroxy-3-isopropyl-phenyl)...)
Show SMILES CC(C)c1cc(ccc1O)C(CC=C)c1c(C)cc(OCC(O)=O)cc1C
Show InChI InChI=1S/C23H28O4/c1-6-7-19(17-8-9-21(24)20(12-17)14(2)3)23-15(4)10-18(11-16(23)5)27-13-22(25)26/h6,8-12,14,19,24H,1,7,13H2,2-5H3,(H,25,26)
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n/an/an/a 430n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards thyroid hormone receptor (hTR alpha 1)


Bioorg Med Chem Lett 11: 2821-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00521-2
BindingDB Entry DOI: 10.7270/Q21Z43QR
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50115667
PNG
(CHEMBL111953 | [4-(4-Hydroxy-3-isopropyl-5-phenyle...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(C#Cc2ccccc2)c1O
Show InChI InChI=1S/C28H28O4/c1-18(2)25-15-22(14-23(28(25)31)11-10-21-8-6-5-7-9-21)16-26-19(3)12-24(13-20(26)4)32-17-27(29)30/h5-9,12-15,18,31H,16-17H2,1-4H3,(H,29,30)
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n/an/an/a 490n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity against human Thyroid hormone receptor alpha1 (hTRalpha1) using radiolabeled T3


J Med Chem 45: 3310-20 (2002)


Article DOI: 10.1021/jm0201013
BindingDB Entry DOI: 10.7270/Q20G3JHX
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50105671
PNG
(CHEMBL97187 | {4-[(2,4-Dimethoxy-phenyl)-(4-hydrox...)
Show SMILES COc1ccc(C(c2ccc(O)c(c2)C(C)C)c2c(C)cc(OCC(O)=O)cc2C)c(OC)c1
Show InChI InChI=1S/C28H32O6/c1-16(2)23-13-19(7-10-24(23)29)28(22-9-8-20(32-5)14-25(22)33-6)27-17(3)11-21(12-18(27)4)34-15-26(30)31/h7-14,16,28-29H,15H2,1-6H3,(H,30,31)
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n/an/an/a 1.40E+3n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards thyroid hormone receptor (hTR alpha 1)


Bioorg Med Chem Lett 11: 2821-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00521-2
BindingDB Entry DOI: 10.7270/Q21Z43QR
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50105667
PNG
(CHEMBL98135 | {4-[4-Hydroxy-1-(4-hydroxy-3-isoprop...)
Show SMILES CC(C)c1cc(ccc1O)C(CCCO)c1c(C)cc(OCC(O)=O)cc1C
Show InChI InChI=1S/C23H30O5/c1-14(2)20-12-17(7-8-21(20)25)19(6-5-9-24)23-15(3)10-18(11-16(23)4)28-13-22(26)27/h7-8,10-12,14,19,24-25H,5-6,9,13H2,1-4H3,(H,26,27)
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n/an/an/a 1.40E+3n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards thyroid hormone receptor (hTR alpha 1)


Bioorg Med Chem Lett 11: 2821-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00521-2
BindingDB Entry DOI: 10.7270/Q21Z43QR
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM50375344
PNG
(CHEMBL407819)
Show SMILES Oc1[nH]c(=O)[nH]c1Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1
Show InChI InChI=1S/C16H12I2N2O4/c17-11-5-8(7-13-15(22)20-16(23)19-13)6-12(18)14(11)24-10-3-1-9(21)2-4-10/h1-6,21-22H,7H2,(H2,19,20,23)
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n/an/an/a 1.70E+3n/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from human TRalpha receptor


Bioorg Med Chem 16: 762-70 (2008)


Article DOI: 10.1016/j.bmc.2007.10.040
BindingDB Entry DOI: 10.7270/Q2RR2034
More data for this
Ligand-Target Pair