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Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 50038355   
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 alpha


(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 |r|
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 alpha


(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 beta


(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 |r|
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/an/a 11n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRbeta transactivation activity in U2OS cells by luciferase reporter assay


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 alpha


(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 |r|
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/an/a 2.40n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRalpha transactivation activity in HeLa cells by luciferase reporter assay


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 alpha


(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 alpha


(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 alpha


(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
Thyroid hormone receptor alpha


(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 alpha


(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 alpha


(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 alpha


(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 beta


(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 68n/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from human TRbeta 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 beta


(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 2.00E+3n/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from human TRbeta 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 beta


(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 49n/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from human TRbeta 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 beta


(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 53n/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from human TRbeta 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 beta


(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 119n/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from human TRbeta 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 beta


(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 1.70n/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from human TRbeta 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 alpha


(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/an/a 105n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRalpha transactivation activity in U2OS cells by luciferase reporter assay


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 alpha


(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/an/a>2.00E+4n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRalpha transactivation activity in U2OS cells by luciferase reporter assay


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 alpha


(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/an/a 145n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRalpha transactivation activity in U2OS cells by luciferase reporter assay


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 alpha


(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/an/a 146n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRalpha transactivation activity in U2OS cells by luciferase reporter assay


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 alpha


(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/an/a 870n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRalpha transactivation activity in U2OS cells by luciferase reporter assay


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 alpha


(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/an/a 34n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRalpha transactivation activity in U2OS cells by luciferase reporter assay


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 beta


(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/an/a 5.20E+3n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRbeta transactivation activity in U2OS cells by luciferase reporter assay


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 beta


(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/an/a 2.00E+3n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRbeta transactivation activity in U2OS cells by luciferase reporter assay


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 beta


(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/an/a 2.00E+3n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRbeta transactivation activity in U2OS cells by luciferase reporter assay


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 beta


(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/an/a 1.40E+3n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRbeta transactivation activity in U2OS cells by luciferase reporter assay


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 beta


(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/an/a 4.00E+3n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRbeta transactivation activity in U2OS cells by luciferase reporter assay


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 beta


(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/an/a 421n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRbeta transactivation activity in U2OS cells by luciferase reporter assay


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 beta


(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/an/a 390n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRbeta transactivation activity in U2OS cells by luciferase reporter assay


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 alpha


(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/an/a 44n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRalpha transactivation activity in HeLa cells by luciferase reporter assay


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 alpha


(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/an/a 21n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRalpha transactivation activity in HeLa cells by luciferase reporter assay


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 alpha


(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/an/a>1.00E+4n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRalpha transactivation activity in HeLa cells by luciferase reporter assay


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 alpha


(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/an/a 39n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRalpha transactivation activity in HeLa cells by luciferase reporter assay


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 alpha


(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/an/a 10n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRalpha transactivation activity in HeLa cells by luciferase reporter assay


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 alpha


(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/an/a 27n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRalpha transactivation activity in HeLa cells by luciferase reporter assay


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 alpha


(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/an/a 42n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRalpha transactivation activity in HeLa cells by luciferase reporter assay


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 alpha


(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/an/a 8.40n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRalpha transactivation activity in HeLa cells by luciferase reporter assay


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 alpha


(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/an/a 11n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRalpha transactivation activity in HeLa cells by luciferase reporter assay


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 beta


(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/an/a 530n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRbeta transactivation activity in HeLa cells by luciferase reporter assay


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 beta


(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/an/a 216n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRbeta transactivation activity in HeLa cells by luciferase reporter assay


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 beta


(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/an/a>1.00E+4n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRbeta transactivation activity in HeLa cells by luciferase reporter assay


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 beta


(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/an/a 100n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRbeta transactivation activity in HeLa cells by luciferase reporter assay


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 beta


(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/an/a 27n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRbeta transactivation activity in HeLa cells by luciferase reporter assay


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 beta


(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/an/a 180n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRbeta transactivation activity in HeLa cells by luciferase reporter assay


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 beta


(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/an/a 265n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRbeta transactivation activity in HeLa cells by luciferase reporter assay


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 beta


(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/an/a 32n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRbeta transactivation activity in HeLa cells by luciferase reporter assay


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 beta


(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/an/a 58n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRbeta transactivation activity in HeLa cells by luciferase reporter assay


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 beta


(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 18.4n/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from human TRbeta 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 alpha


(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
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