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Compile Data Set for Download or QSAR

Found 123 hits of ec50 for UniProtKB: P10828   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM18887
PNG
(3,5-Dibromo-4-alkoxyphenylalkanoic Acid, 9k | 3-[3...)
Show SMILES OC(=O)CCc1cc(Br)c(OCC2CCCCC2)c(Br)c1
Show InChI InChI=1S/C16H20Br2O3/c17-13-8-12(6-7-15(19)20)9-14(18)16(13)21-10-11-4-2-1-3-5-11/h8-9,11H,1-7,10H2,(H,19,20)
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n/an/a 190n/a 0.120n/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to i...


J Med Chem 48: 3114-7 (2005)


Article DOI: 10.1021/jm050004k
BindingDB Entry DOI: 10.7270/Q2M906XW
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM18867
PNG
(2-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(CC(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C17H16Br2O4/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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n/an/a 0.0950n/a 0.200n/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to r...


J Med Chem 46: 1580-8 (2003)


Article DOI: 10.1021/jm021080f
BindingDB Entry DOI: 10.7270/Q20K26TG
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)/(TR-beta)


(Homo sapiens (Human))
BDBM50163895
PNG
((S)-2-Amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3-iodo...)
Show SMILES Cc1cc(C[C@H](N)C(O)=O)cc(I)c1Oc1ccc(O)c(I)c1
Show InChI InChI=1S/C16H15I2NO4/c1-8-4-9(6-13(19)16(21)22)5-12(18)15(8)23-10-2-3-14(20)11(17)7-10/h2-5,7,13,20H,6,19H2,1H3,(H,21,22)/t13-/m0/s1
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n/an/an/an/a 0.200n/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells


Bioorg Med Chem Lett 15: 1835-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM18867
PNG
(2-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(CC(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C17H16Br2O4/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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n/an/a 0.0950n/a 0.200n/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to r...


Bioorg Med Chem Lett 17: 4131-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.049
BindingDB Entry DOI: 10.7270/Q2VT1QB6
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM18870
PNG
(3-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CCC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C18H18Cl2O4/c1-10(2)13-9-12(4-5-16(13)21)24-18-14(19)7-11(8-15(18)20)3-6-17(22)23/h4-5,7-10,21H,3,6H2,1-2H3,(H,22,23)
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n/an/a 0.150n/a 0.280n/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to r...


J Med Chem 46: 1580-8 (2003)


Article DOI: 10.1021/jm021080f
BindingDB Entry DOI: 10.7270/Q20K26TG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50401075
PNG
(CHEMBL2203702)
Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)C(=O)NCC(c2ccccc2)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C29H23Cl2NO5/c30-24-13-18(15-27(34)35)14-25(31)28(24)37-21-11-12-26(33)22(16-21)29(36)32-17-23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,16,23,33H,15,17H2,(H,32,36)(H,34,35)
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n/an/an/an/a 0.470n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to TRbeta1


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 (TR-alpha)/(TR-beta)


(Homo sapiens (Human))
BDBM50163906
PNG
(CHEMBL361162 | [4-(3-Isopropyl-1H-indol-5-yloxy)-3...)
Show SMILES CC(C)c1c[nH]c2ccc(Oc3c(cc(CC(O)=O)cc3C(F)(F)F)C(F)(F)F)cc12
Show InChI InChI=1S/C21H17F6NO3/c1-10(2)14-9-28-17-4-3-12(8-13(14)17)31-19-15(20(22,23)24)5-11(7-18(29)30)6-16(19)21(25,26)27/h3-6,8-10,28H,7H2,1-2H3,(H,29,30)
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n/an/an/an/a 0.5n/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells


Bioorg Med Chem Lett 15: 1835-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM18904
PNG
(2-[3,5-dibromo-4-(cyclohexylmethoxy)phenyl]acetic ...)
Show SMILES OC(=O)Cc1cc(Br)c(OCC2CCCCC2)c(Br)c1
Show InChI InChI=1S/C15H18Br2O3/c16-12-6-11(8-14(18)19)7-13(17)15(12)20-9-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H,18,19)
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n/an/a 770n/a 0.520n/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to i...


J Med Chem 48: 3114-7 (2005)


Article DOI: 10.1021/jm050004k
BindingDB Entry DOI: 10.7270/Q2M906XW
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM18903
PNG
(2-[3,5-dibromo-4-(2-ethylbutoxy)phenyl]acetic acid...)
Show SMILES CCC(CC)COc1c(Br)cc(CC(O)=O)cc1Br
Show InChI InChI=1S/C14H18Br2O3/c1-3-9(4-2)8-19-14-11(15)5-10(6-12(14)16)7-13(17)18/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18)
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n/an/a 800n/a 0.700n/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to i...


J Med Chem 48: 3114-7 (2005)


Article DOI: 10.1021/jm050004k
BindingDB Entry DOI: 10.7270/Q2M906XW
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM18877
PNG
((2R)-2-(1-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@@H](C(O)=O)c3ccccc3)cc2Br)ccc1O
Show InChI InChI=1/C25H23Br2NO5/c1-14(2)18-13-17(8-9-21(18)29)33-24-19(26)10-15(11-20(24)27)12-22(30)28-23(25(31)32)16-6-4-3-5-7-16/h3-11,13-14,23,29H,12H2,1-2H3,(H,28,30)(H,31,32)/t23-/s2
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n/an/a 0.600n/a 0.730n/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to r...


Bioorg Med Chem Lett 17: 4131-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.049
BindingDB Entry DOI: 10.7270/Q2VT1QB6
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM18874
PNG
((2S)-2-(1-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl...)
Show SMILES CC(C)[C@H](NC(=O)Cc1cc(Br)c(Oc2ccc(O)c(c2)C(C)C)c(Br)c1)C(O)=O
Show InChI InChI=1/C22H25Br2NO5/c1-11(2)15-10-14(5-6-18(15)26)30-21-16(23)7-13(8-17(21)24)9-19(27)25-20(12(3)4)22(28)29/h5-8,10-12,20,26H,9H2,1-4H3,(H,25,27)(H,28,29)/t20-/s2
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n/an/a 0.270n/a 0.770n/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to r...


Bioorg Med Chem Lett 17: 4131-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.049
BindingDB Entry DOI: 10.7270/Q2VT1QB6
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(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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n/an/a 1.10n/a 0.780n/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to r...


Bioorg Med Chem Lett 17: 4131-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.049
BindingDB Entry DOI: 10.7270/Q2VT1QB6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM18902
PNG
(2-[3,5-dibromo-4-(hexyloxy)phenyl]acetic acid | 3,...)
Show SMILES CCCCCCOc1c(Br)cc(CC(O)=O)cc1Br
Show InChI InChI=1S/C14H18Br2O3/c1-2-3-4-5-6-19-14-11(15)7-10(8-12(14)16)9-13(17)18/h7-8H,2-6,9H2,1H3,(H,17,18)
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n/an/a 1.50E+3n/a 0.800n/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to i...


J Med Chem 48: 3114-7 (2005)


Article DOI: 10.1021/jm050004k
BindingDB Entry DOI: 10.7270/Q2M906XW
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM18906
PNG
(3,5-Dibromo-4-alkoxyphenylalkanoic Acid, 9i | 3-[3...)
Show SMILES CCCCCCOc1c(Br)cc(CCC(O)=O)cc1Br
Show InChI InChI=1S/C15H20Br2O3/c1-2-3-4-5-8-20-15-12(16)9-11(10-13(15)17)6-7-14(18)19/h9-10H,2-8H2,1H3,(H,18,19)
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n/an/a 360n/a 1n/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to i...


J Med Chem 48: 3114-7 (2005)


Article DOI: 10.1021/jm050004k
BindingDB Entry DOI: 10.7270/Q2M906XW
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(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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n/an/an/an/a 1.12n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human thyroid hormone receptor beta expressed in CV1 cells by TRE-luciferase assay


Bioorg Med Chem Lett 18: 3919-24 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.038
BindingDB Entry DOI: 10.7270/Q2CZ36ZV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid Hormone Receptor (TR-alpha)/(TR-beta)


(Homo sapiens (Human))
BDBM50163901
PNG
(CHEMBL360137 | N-[3,5-Dibromo-4-(3-isopropyl-1H-in...)
Show SMILES CCOC(=O)C(=O)Nc1cc(Br)c(Oc2ccc3[nH]cc(C(C)C)c3c2)c(Br)c1
Show InChI InChI=1S/C21H20Br2N2O4/c1-4-28-21(27)20(26)25-12-7-16(22)19(17(23)8-12)29-13-5-6-18-14(9-13)15(10-24-18)11(2)3/h5-11,24H,4H2,1-3H3,(H,25,26)
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n/an/an/an/a 1.20n/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells


Bioorg Med Chem Lett 15: 1835-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM18875
PNG
((2R)-2-(1-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl...)
Show SMILES CC(C)[C@@H](NC(=O)Cc1cc(Br)c(Oc2ccc(O)c(c2)C(C)C)c(Br)c1)C(O)=O
Show InChI InChI=1/C22H25Br2NO5/c1-11(2)15-10-14(5-6-18(15)26)30-21-16(23)7-13(8-17(21)24)9-19(27)25-20(12(3)4)22(28)29/h5-8,10-12,20,26H,9H2,1-4H3,(H,25,27)(H,28,29)/t20-/s2
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n/an/a 0.710n/a 1.20n/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to r...


Bioorg Med Chem Lett 17: 4131-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.049
BindingDB Entry DOI: 10.7270/Q2VT1QB6
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-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
Show InChI InChI=1/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-/s2
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n/an/an/an/a 2n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Half-maximum activation of human Thyroid hormone receptor beta 1 (hTRbeta1)


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 (TR-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
Show InChI InChI=1/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-/s2
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n/an/an/an/a 2n/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant TRbeta1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay


Bioorg Med Chem 22: 488-98 (2013)


Article DOI: 10.1016/j.bmc.2013.11.001
BindingDB Entry DOI: 10.7270/Q2H41SXN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid Hormone Receptor (TR-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
Show InChI InChI=1/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-/s2
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n/an/an/an/a 2n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Effective concentration of the compound binding towards TRbeta1 in E25B2 cells (agonistic activity)


Bioorg Med Chem Lett 13: 379-82 (2003)


Article DOI: 10.1016/s0960-894x(02)00947-2
BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid Hormone Receptor (TR-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
Show InChI InChI=1/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-/s2
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n/an/an/an/a 2.40n/an/an/an/a



University of California San Francisco



Assay Description
TRE-driven dual-luciferase reporter assay in human uterine cervical cancer (Hela) cell line


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 (TR-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
Show InChI InChI=1/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-/s2
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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 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
3D
3D Structure (crystal)
Thyroid Hormone Receptor (TR-alpha)/(TR-beta)


(Homo sapiens (Human))
BDBM50163897
PNG
(3-[4-(3-Isopropyl-1H-indol-5-yloxy)-3,5-bis-triflu...)
Show SMILES CC(C)c1c[nH]c2ccc(Oc3c(cc(CCC(O)=O)cc3C(F)(F)F)C(F)(F)F)cc12
Show InChI InChI=1S/C22H19F6NO3/c1-11(2)15-10-29-18-5-4-13(9-14(15)18)32-20-16(21(23,24)25)7-12(3-6-19(30)31)8-17(20)22(26,27)28/h4-5,7-11,29H,3,6H2,1-2H3,(H,30,31)
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n/an/an/an/a 2.60n/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells


Bioorg Med Chem Lett 15: 1835-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM18872
PNG
((2S)-2-(1-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@@H](C)C(O)=O)cc2Br)ccc1O
Show InChI InChI=1/C20H21Br2NO5/c1-10(2)14-9-13(4-5-17(14)24)28-19-15(21)6-12(7-16(19)22)8-18(25)23-11(3)20(26)27/h4-7,9-11,24H,8H2,1-3H3,(H,23,25)(H,26,27)/t11-/s2
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n/an/a 1.30n/a 2.60n/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to r...


Bioorg Med Chem Lett 17: 4131-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.049
BindingDB Entry DOI: 10.7270/Q2VT1QB6
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM18920
PNG
(2-[3,5-dichloro-4-(4-hydroxy-3-phenylphenoxy)pheny...)
Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C20H14Cl2O4/c21-16-8-12(10-19(24)25)9-17(22)20(16)26-14-6-7-18(23)15(11-14)13-4-2-1-3-5-13/h1-9,11,23H,10H2,(H,24,25)
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n/an/an/an/a 2.90n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to TRbeta1


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 (docked)
Thyroid Hormone Receptor (TR-alpha)/(TR-beta)


(Homo sapiens (Human))
BDBM50163888
PNG
(CHEMBL183176 | N-[4-(3-Isopropyl-1H-indol-5-yloxy)...)
Show SMILES CCOC(=O)C(=O)Nc1cc(c(Oc2ccc3[nH]cc(C(C)C)c3c2)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H20F6N2O4/c1-4-34-21(33)20(32)31-12-7-16(22(24,25)26)19(17(8-12)23(27,28)29)35-13-5-6-18-14(9-13)15(10-30-18)11(2)3/h5-11,30H,4H2,1-3H3,(H,31,32)
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n/an/an/an/a 3n/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells


Bioorg Med Chem Lett 15: 1835-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)/(TR-beta)


(Homo sapiens (Human))
BDBM50163900
PNG
((E)-3-[4-(3-Isopropyl-1H-indol-5-yloxy)-3,5-bis-tr...)
Show SMILES CC(C)c1c[nH]c2ccc(Oc3c(cc(\C=C\C(O)=O)cc3C(F)(F)F)C(F)(F)F)cc12
Show InChI InChI=1S/C22H17F6NO3/c1-11(2)15-10-29-18-5-4-13(9-14(15)18)32-20-16(21(23,24)25)7-12(3-6-19(30)31)8-17(20)22(26,27)28/h3-11,29H,1-2H3,(H,30,31)/b6-3+
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n/an/an/an/a 3.20n/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells


Bioorg Med Chem Lett 15: 1835-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(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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n/an/a 1.10n/a 3.5n/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to r...


J Med Chem 46: 1580-8 (2003)


Article DOI: 10.1021/jm021080f
BindingDB Entry DOI: 10.7270/Q20K26TG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50178971
PNG
((R)-2-Amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-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-/m1/s1
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n/an/an/an/a 3.5n/an/an/an/a



Karo Bio AB

Curated by ChEMBL


Assay Description
Efficacy against TRAF-beta-1 reporter cells


Bioorg Med Chem Lett 16: 1240-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.077
BindingDB Entry DOI: 10.7270/Q2T72H1W
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thyroid Hormone Receptor (TR-alpha)/(TR-beta)


(Homo sapiens (Human))
BDBM50163890
PNG
(CHEMBL183050 | N-[4-(3-Isopropyl-1H-indol-5-yloxy)...)
Show SMILES CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc3[nH]cc(C(C)C)c3c2)c(C)c1
Show InChI InChI=1S/C23H26N2O4/c1-6-28-23(27)22(26)25-16-9-14(4)21(15(5)10-16)29-17-7-8-20-18(11-17)19(12-24-20)13(2)3/h7-13,24H,6H2,1-5H3,(H,25,26)
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n/an/an/an/a 4n/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells


Bioorg Med Chem Lett 15: 1835-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)/(TR-beta)


(Homo sapiens (Human))
BDBM50163899
PNG
(CHEMBL183122 | N-[3,5-Dichloro-4-(3-isopropyl-1H-i...)
Show SMILES COC(=O)C(=O)Nc1cc(Cl)c(Oc2ccc3[nH]cc(C(C)C)c3c2)c(Cl)c1
Show InChI InChI=1S/C20H18Cl2N2O4/c1-10(2)14-9-23-17-5-4-12(8-13(14)17)28-18-15(21)6-11(7-16(18)22)24-19(25)20(26)27-3/h4-10,23H,1-3H3,(H,24,25)
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n/an/an/an/a 4n/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells


Bioorg Med Chem Lett 15: 1835-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)/(TR-beta)


(Homo sapiens (Human))
BDBM50163898
PNG
(CHEMBL359647 | N-[3-Chloro-4-(3-isopropyl-1H-indol...)
Show SMILES CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc3[nH]cc(C(C)C)c3c2)c(Cl)c1
Show InChI InChI=1S/C22H23ClN2O4/c1-5-28-22(27)21(26)25-14-8-13(4)20(18(23)9-14)29-15-6-7-19-16(10-15)17(11-24-19)12(2)3/h6-12,24H,5H2,1-4H3,(H,25,26)
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n/an/an/an/a 4n/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells


Bioorg Med Chem Lett 15: 1835-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50178974
PNG
(4,6-dibromo-5-(4-hydroxy-3-isopropylphenoxy)-1H-in...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc3[nH]c(cc3c2Br)C(O)=O)ccc1O
Show InChI InChI=1S/C18H15Br2NO4/c1-8(2)10-5-9(3-4-15(10)22)25-17-12(19)7-13-11(16(17)20)6-14(21-13)18(23)24/h3-8,21-22H,1-2H3,(H,23,24)
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n/an/an/an/a 4.20n/an/an/an/a



Karo Bio AB

Curated by ChEMBL


Assay Description
Efficacy against TRAF-beta-1 reporter cells


Bioorg Med Chem Lett 16: 1240-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.077
BindingDB Entry DOI: 10.7270/Q2T72H1W
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50178972
PNG
(4,6-dibromo-5-(4-hydroxy-3-isopropylphenoxy)-2,3-d...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc3CC(Cc3c2Br)C(O)=O)ccc1O
Show InChI InChI=1/C19H18Br2O4/c1-9(2)13-8-12(3-4-16(13)22)25-18-15(20)7-10-5-11(19(23)24)6-14(10)17(18)21/h3-4,7-9,11,22H,5-6H2,1-2H3,(H,23,24)
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n/an/an/an/a 4.30n/an/an/an/a



Karo Bio AB

Curated by ChEMBL


Assay Description
Efficacy against TRAF-beta-1 reporter cells


Bioorg Med Chem Lett 16: 1240-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.077
BindingDB Entry DOI: 10.7270/Q2T72H1W
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50178975
PNG
(4,6-dichloro-5-(4-hydroxy-3-isopropylphenoxy)-1H-i...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc3[nH]c(cc3c2Cl)C(O)=O)ccc1O
Show InChI InChI=1S/C18H15Cl2NO4/c1-8(2)10-5-9(3-4-15(10)22)25-17-12(19)7-13-11(16(17)20)6-14(21-13)18(23)24/h3-8,21-22H,1-2H3,(H,23,24)
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n/an/an/an/a 4.70n/an/an/an/a



Karo Bio AB

Curated by ChEMBL


Assay Description
Efficacy against TRAF-beta-1 reporter cells


Bioorg Med Chem Lett 16: 1240-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.077
BindingDB Entry DOI: 10.7270/Q2T72H1W
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(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/an/a 7n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Half-maximum activation of human Thyroid hormone receptor beta 1 (hTRbeta1)


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 (TR-beta)


(Homo sapiens (Human))
BDBM18873
PNG
((2R)-2-(1-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@H](C)C(O)=O)cc2Br)ccc1O
Show InChI InChI=1/C20H21Br2NO5/c1-10(2)14-9-13(4-5-17(14)24)28-19-15(21)6-12(7-16(19)22)8-18(25)23-11(3)20(26)27/h4-7,9-11,24H,8H2,1-3H3,(H,23,25)(H,26,27)/t11-/s2
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n/an/a 5.90n/a 7.60n/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to r...


Bioorg Med Chem Lett 17: 4131-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.049
BindingDB Entry DOI: 10.7270/Q2VT1QB6
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)/(TR-beta)


(Homo sapiens (Human))
BDBM50163896
PNG
(CHEMBL183000 | N-[4-(3-Isopropyl-1H-indol-5-yloxy)...)
Show SMILES CCOC(=O)C(=O)Nc1cc(C=C)c(Oc2ccc3[nH]cc(C(C)C)c3c2)c(C=C)c1
Show InChI InChI=1S/C25H26N2O4/c1-6-16-11-18(27-24(28)25(29)30-8-3)12-17(7-2)23(16)31-19-9-10-22-20(13-19)21(14-26-22)15(4)5/h6-7,9-15,26H,1-2,8H2,3-5H3,(H,27,28)
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n/an/an/an/a 7.80n/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells


Bioorg Med Chem Lett 15: 1835-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)/(TR-beta)


(Homo sapiens (Human))
BDBM50163892
PNG
(CHEMBL183851 | N-[3,5-Dimethyl-4-(3-pentyl-1H-inda...)
Show SMILES CCCCCc1n[nH]c2ccc(Oc3c(C)cc(NC(=O)C(=O)OCC)cc3C)cc12
Show InChI InChI=1S/C24H29N3O4/c1-5-7-8-9-20-19-14-18(10-11-21(19)27-26-20)31-22-15(3)12-17(13-16(22)4)25-23(28)24(29)30-6-2/h10-14H,5-9H2,1-4H3,(H,25,28)(H,26,27)
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n/an/an/an/a 8n/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells


Bioorg Med Chem Lett 15: 1835-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)/(TR-beta)


(Homo sapiens (Human))
BDBM50163889
PNG
(CHEMBL182430 | N-[3-Chloro-4-(3-isopropyl-1H-indol...)
Show SMILES CCOC(=O)CC(=O)Nc1cc(C)c(Oc2ccc3[nH]cc(C(C)C)c3c2)c(Cl)c1
Show InChI InChI=1S/C23H25ClN2O4/c1-5-29-22(28)11-21(27)26-15-8-14(4)23(19(24)9-15)30-16-6-7-20-17(10-16)18(12-25-20)13(2)3/h6-10,12-13,25H,5,11H2,1-4H3,(H,26,27)
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n/an/an/an/a 8n/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells


Bioorg Med Chem Lett 15: 1835-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)/(TR-beta)


(Homo sapiens (Human))
BDBM50163894
PNG
(CHEMBL183863 | N-{4-[3-(4-Fluoro-benzyl)-1H-indol-...)
Show SMILES CCOC(=O)C(=O)Nc1cc(c(Oc2ccc3[nH]cc(Cc4ccc(F)cc4)c3c2)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H19F7N2O4/c1-2-39-25(38)24(37)36-17-10-20(26(29,30)31)23(21(11-17)27(32,33)34)40-18-7-8-22-19(12-18)15(13-35-22)9-14-3-5-16(28)6-4-14/h3-8,10-13,35H,2,9H2,1H3,(H,36,37)
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n/an/an/an/a 11n/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells


Bioorg Med Chem Lett 15: 1835-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM18880
PNG
((2S)-2-(1-{3,5-dibromo-4-[3-fluoro-4-hydroxy-5-(pr...)
Show SMILES CC(C)[C@H](NC(=O)Cc1cc(Br)c(Oc2cc(F)c(O)c(c2)C(C)C)c(Br)c1)C(O)=O
Show InChI InChI=1/C22H24Br2FNO5/c1-10(2)14-8-13(9-17(25)20(14)28)31-21-15(23)5-12(6-16(21)24)7-18(27)26-19(11(3)4)22(29)30/h5-6,8-11,19,28H,7H2,1-4H3,(H,26,27)(H,29,30)/t19-/s2
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n/an/a 12n/a 11n/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to r...


Bioorg Med Chem Lett 17: 4131-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.049
BindingDB Entry DOI: 10.7270/Q2VT1QB6
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-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
Show InChI InChI=1/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-/s2
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n/an/an/an/a 11n/an/an/an/a



University of California San Francisco



Assay Description
TRE-driven dual-luciferase reporter assay in human bone osteosarcoma epithelial (U2OS) cell line.


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 (TR-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
Show InChI InChI=1/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-/s2
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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 (TR-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
Show InChI InChI=1/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-/s2
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n/an/an/an/a 15n/an/an/an/a



Madrigal Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Agonist activity at recombinant His6-tagged THR-beta (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 m...


J Med Chem 57: 3912-23 (2014)


Article DOI: 10.1021/jm4019299
BindingDB Entry DOI: 10.7270/Q23T9JRQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid Hormone Receptor (TR-alpha)/(TR-beta)


(Homo sapiens (Human))
BDBM50163893
PNG
(CHEMBL183057 | N-[3,5-Dimethyl-4-(3-methyl-1H-indo...)
Show SMILES CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc3[nH]cc(C)c3c2)c(C)c1
Show InChI InChI=1S/C21H22N2O4/c1-5-26-21(25)20(24)23-15-8-12(2)19(13(3)9-15)27-16-6-7-18-17(10-16)14(4)11-22-18/h6-11,22H,5H2,1-4H3,(H,23,24)
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n/an/an/an/a 15n/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells


Bioorg Med Chem Lett 15: 1835-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)/(TR-beta)


(Homo sapiens (Human))
BDBM50163902
PNG
(CHEMBL183727 | N-[3,5-Dichloro-4-(1H-indol-5-yloxy...)
Show SMILES CCOC(=O)C(=O)Nc1cc(Cl)c(Oc2ccc3[nH]ccc3c2)c(Cl)c1
Show InChI InChI=1S/C18H14Cl2N2O4/c1-2-25-18(24)17(23)22-11-8-13(19)16(14(20)9-11)26-12-3-4-15-10(7-12)5-6-21-15/h3-9,21H,2H2,1H3,(H,22,23)
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n/an/an/an/a 15n/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells


Bioorg Med Chem Lett 15: 1835-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(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/an/a 18n/an/an/an/a



Madrigal Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Agonist activity at recombinant His6-tagged THR-beta (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 m...


J Med Chem 57: 3912-23 (2014)


Article DOI: 10.1021/jm4019299
BindingDB Entry DOI: 10.7270/Q23T9JRQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid Hormone Receptor (TR-alpha)/(TR-beta)


(Homo sapiens (Human))
BDBM50163904
PNG
(CHEMBL180952 | N-[4-(3-Isopropyl-1H-indol-5-ylmeth...)
Show SMILES CCOC(=O)C(=O)Nc1cc(C)c(Cc2ccc3[nH]cc(C(C)C)c3c2)c(C)c1
Show InChI InChI=1S/C24H28N2O3/c1-6-29-24(28)23(27)26-18-9-15(4)19(16(5)10-18)11-17-7-8-22-20(12-17)21(13-25-22)14(2)3/h7-10,12-14,25H,6,11H2,1-5H3,(H,26,27)
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n/an/an/an/a 18n/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells


Bioorg Med Chem Lett 15: 1835-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(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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n/an/an/an/a 23n/an/an/an/a



Madrigal Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Agonist activity at recombinant His6-tagged THR-beta (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 m...


J Med Chem 57: 3912-23 (2014)


Article DOI: 10.1021/jm4019299
BindingDB Entry DOI: 10.7270/Q23T9JRQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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