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Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50043928   
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 (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 |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/a 2.90n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Triiodothyronine from human recombinant TRbeta1 ligand binding domain after 2 to 3 hrs by beta counting


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


(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/a 3.20n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Triiodothyronine from human recombinant TRalpha1 ligand binding domain after 2 to 3 hrs by beta counting


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))
BDBM50448463
PNG
(CHEMBL3126367)
Show SMILES CC(C)c1cc(Cn2c(C)cc3c(NC(=O)C(O)=O)cccc23)ccc1O
Show InChI InChI=1S/C21H22N2O4/c1-12(2)15-10-14(7-8-19(15)24)11-23-13(3)9-16-17(5-4-6-18(16)23)22-20(25)21(26)27/h4-10,12,24H,11H2,1-3H3,(H,22,25)(H,26,27)
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n/an/a 40n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Triiodothyronine from human recombinant TRbeta1 ligand binding domain after 2 to 3 hrs by beta counting


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
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50448462
PNG
(CHEMBL3126369)
Show SMILES CC(C)c1cc(Cn2ccc3c(NC(=O)C(O)=O)ccc(C)c23)ccc1O
Show InChI InChI=1S/C21H22N2O4/c1-12(2)16-10-14(5-7-18(16)24)11-23-9-8-15-17(22-20(25)21(26)27)6-4-13(3)19(15)23/h4-10,12,24H,11H2,1-3H3,(H,22,25)(H,26,27)
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n/an/a 54n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Triiodothyronine from human recombinant TRbeta1 ligand binding domain after 2 to 3 hrs by beta counting


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
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50448461
PNG
(CHEMBL3126370)
Show SMILES CC(C)c1cc(Cn2ccc3c(NC(=O)C(O)=O)cccc23)ccc1O
Show InChI InChI=1S/C20H20N2O4/c1-12(2)15-10-13(6-7-18(15)23)11-22-9-8-14-16(4-3-5-17(14)22)21-19(24)20(25)26/h3-10,12,23H,11H2,1-2H3,(H,21,24)(H,25,26)
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n/an/a 170n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Triiodothyronine from human recombinant TRbeta1 ligand binding domain after 2 to 3 hrs by beta counting


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
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50448462
PNG
(CHEMBL3126369)
Show SMILES CC(C)c1cc(Cn2ccc3c(NC(=O)C(O)=O)ccc(C)c23)ccc1O
Show InChI InChI=1S/C21H22N2O4/c1-12(2)16-10-14(5-7-18(16)24)11-23-9-8-15-17(22-20(25)21(26)27)6-4-13(3)19(15)23/h4-10,12,24H,11H2,1-3H3,(H,22,25)(H,26,27)
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n/an/a 190n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Triiodothyronine from human recombinant TRalpha1 ligand binding domain after 2 to 3 hrs by beta counting


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
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50448470
PNG
(CHEMBL3126368)
Show SMILES CC(C)c1cc(Cn2c(C)cc3cc(NC(=O)C(O)=O)ccc23)ccc1O
Show InChI InChI=1S/C21H22N2O4/c1-12(2)17-9-14(4-7-19(17)24)11-23-13(3)8-15-10-16(5-6-18(15)23)22-20(25)21(26)27/h4-10,12,24H,11H2,1-3H3,(H,22,25)(H,26,27)
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n/an/a 230n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Triiodothyronine from human recombinant TRalpha1 ligand binding domain after 2 to 3 hrs by beta counting


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
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50448463
PNG
(CHEMBL3126367)
Show SMILES CC(C)c1cc(Cn2c(C)cc3c(NC(=O)C(O)=O)cccc23)ccc1O
Show InChI InChI=1S/C21H22N2O4/c1-12(2)15-10-14(7-8-19(15)24)11-23-13(3)9-16-17(5-4-6-18(16)23)22-20(25)21(26)27/h4-10,12,24H,11H2,1-3H3,(H,22,25)(H,26,27)
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n/an/a 230n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Triiodothyronine from human recombinant TRalpha1 ligand binding domain after 2 to 3 hrs by beta counting


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
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50448460
PNG
(CHEMBL3126371)
Show SMILES CC(C)c1cc(Cn2c(C)cc3c(NC(=O)CC(O)=O)cccc23)ccc1O
Show InChI InChI=1S/C22H24N2O4/c1-13(2)16-10-15(7-8-20(16)25)12-24-14(3)9-17-18(5-4-6-19(17)24)23-21(26)11-22(27)28/h4-10,13,25H,11-12H2,1-3H3,(H,23,26)(H,27,28)
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n/an/a 230n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Triiodothyronine from human recombinant TRbeta1 ligand binding domain after 2 to 3 hrs by beta counting


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
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50448459
PNG
(CHEMBL3126372)
Show SMILES CC(C)c1cc(Cn2ccc3c(NC(=O)CC(O)=O)ccc(C)c23)ccc1O
Show InChI InChI=1S/C22H24N2O4/c1-13(2)17-10-15(5-7-19(17)25)12-24-9-8-16-18(6-4-14(3)22(16)24)23-20(26)11-21(27)28/h4-10,13,25H,11-12H2,1-3H3,(H,23,26)(H,27,28)
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n/an/a 240n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Triiodothyronine from human recombinant TRbeta1 ligand binding domain after 2 to 3 hrs by beta counting


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
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50448465
PNG
(CHEMBL3126375)
Show SMILES CC(C)c1cc(Cn2c(C)c(CCCC(O)=O)c3ccccc23)ccc1O
Show InChI InChI=1S/C23H27NO3/c1-15(2)20-13-17(11-12-22(20)25)14-24-16(3)18(8-6-10-23(26)27)19-7-4-5-9-21(19)24/h4-5,7,9,11-13,15,25H,6,8,10,14H2,1-3H3,(H,26,27)
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n/an/a 290n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Triiodothyronine from human recombinant TRbeta1 ligand binding domain after 2 to 3 hrs by beta counting


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
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50448469
PNG
(CHEMBL3126377)
Show SMILES CC(C)c1cc(Cn2c(C)c(CC(=O)NCC(O)=O)c3ccccc23)ccc1O
Show InChI InChI=1S/C23H26N2O4/c1-14(2)18-10-16(8-9-21(18)26)13-25-15(3)19(11-22(27)24-12-23(28)29)17-6-4-5-7-20(17)25/h4-10,14,26H,11-13H2,1-3H3,(H,24,27)(H,28,29)
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n/an/a 430n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Triiodothyronine from human recombinant TRbeta1 ligand binding domain after 2 to 3 hrs by beta counting


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
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50448466
PNG
(CHEMBL3126374)
Show SMILES CC(C)c1cc(Cn2c(C)c(CCC(O)=O)c3ccccc23)ccc1O
Show InChI InChI=1S/C22H25NO3/c1-14(2)19-12-16(8-10-21(19)24)13-23-15(3)17(9-11-22(25)26)18-6-4-5-7-20(18)23/h4-8,10,12,14,24H,9,11,13H2,1-3H3,(H,25,26)
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n/an/a 760n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Triiodothyronine from human recombinant TRbeta1 ligand binding domain after 2 to 3 hrs by beta counting


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
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50448468
PNG
(CHEMBL3126378)
Show SMILES CC(C)c1cc(Cn2c(C)c(C(=O)NCC(O)=O)c3ccccc23)ccc1O
Show InChI InChI=1S/C22H24N2O4/c1-13(2)17-10-15(8-9-19(17)25)12-24-14(3)21(22(28)23-11-20(26)27)16-6-4-5-7-18(16)24/h4-10,13,25H,11-12H2,1-3H3,(H,23,28)(H,26,27)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Triiodothyronine from human recombinant TRbeta1 ligand binding domain after 2 to 3 hrs by beta counting


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
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50448461
PNG
(CHEMBL3126370)
Show SMILES CC(C)c1cc(Cn2ccc3c(NC(=O)C(O)=O)cccc23)ccc1O
Show InChI InChI=1S/C20H20N2O4/c1-12(2)15-10-13(6-7-18(15)23)11-22-9-8-14-16(4-3-5-17(14)22)21-19(24)20(25)26/h3-10,12,23H,11H2,1-2H3,(H,21,24)(H,25,26)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Triiodothyronine from human recombinant TRalpha1 ligand binding domain after 2 to 3 hrs by beta counting


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
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50448466
PNG
(CHEMBL3126374)
Show SMILES CC(C)c1cc(Cn2c(C)c(CCC(O)=O)c3ccccc23)ccc1O
Show InChI InChI=1S/C22H25NO3/c1-14(2)19-12-16(8-10-21(19)24)13-23-15(3)17(9-11-22(25)26)18-6-4-5-7-20(18)23/h4-8,10,12,14,24H,9,11,13H2,1-3H3,(H,25,26)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Triiodothyronine from human recombinant TRalpha1 ligand binding domain after 2 to 3 hrs by beta counting


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
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50448464
PNG
(CHEMBL3126376)
Show SMILES CC(C)c1cc(Cn2c(C)c(CCCCC(O)=O)c3ccccc23)ccc1O
Show InChI InChI=1S/C24H29NO3/c1-16(2)21-14-18(12-13-23(21)26)15-25-17(3)19(8-5-7-11-24(27)28)20-9-4-6-10-22(20)25/h4,6,9-10,12-14,16,26H,5,7-8,11,15H2,1-3H3,(H,27,28)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Triiodothyronine from human recombinant TRbeta1 ligand binding domain after 2 to 3 hrs by beta counting


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
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50448470
PNG
(CHEMBL3126368)
Show SMILES CC(C)c1cc(Cn2c(C)cc3cc(NC(=O)C(O)=O)ccc23)ccc1O
Show InChI InChI=1S/C21H22N2O4/c1-12(2)17-9-14(4-7-19(17)24)11-23-13(3)8-15-10-16(5-6-18(15)23)22-20(25)21(26)27/h4-10,12,24H,11H2,1-3H3,(H,22,25)(H,26,27)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Triiodothyronine from human recombinant TRbeta1 ligand binding domain after 2 to 3 hrs by beta counting


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
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50448465
PNG
(CHEMBL3126375)
Show SMILES CC(C)c1cc(Cn2c(C)c(CCCC(O)=O)c3ccccc23)ccc1O
Show InChI InChI=1S/C23H27NO3/c1-15(2)20-13-17(11-12-22(20)25)14-24-16(3)18(8-6-10-23(26)27)19-7-4-5-9-21(19)24/h4-5,7,9,11-13,15,25H,6,8,10,14H2,1-3H3,(H,26,27)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Triiodothyronine from human recombinant TRalpha1 ligand binding domain after 2 to 3 hrs by beta counting


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
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50448460
PNG
(CHEMBL3126371)
Show SMILES CC(C)c1cc(Cn2c(C)cc3c(NC(=O)CC(O)=O)cccc23)ccc1O
Show InChI InChI=1S/C22H24N2O4/c1-13(2)16-10-15(7-8-20(16)25)12-24-14(3)9-17-18(5-4-6-19(17)24)23-21(26)11-22(27)28/h4-10,13,25H,11-12H2,1-3H3,(H,23,26)(H,27,28)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Triiodothyronine from human recombinant TRalpha1 ligand binding domain after 2 to 3 hrs by beta counting


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
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50448459
PNG
(CHEMBL3126372)
Show SMILES CC(C)c1cc(Cn2ccc3c(NC(=O)CC(O)=O)ccc(C)c23)ccc1O
Show InChI InChI=1S/C22H24N2O4/c1-13(2)17-10-15(5-7-19(17)25)12-24-9-8-16-18(6-4-14(3)22(16)24)23-20(26)11-21(27)28/h4-10,13,25H,11-12H2,1-3H3,(H,23,26)(H,27,28)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Triiodothyronine from human recombinant TRalpha1 ligand binding domain after 2 to 3 hrs by beta counting


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
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50448469
PNG
(CHEMBL3126377)
Show SMILES CC(C)c1cc(Cn2c(C)c(CC(=O)NCC(O)=O)c3ccccc23)ccc1O
Show InChI InChI=1S/C23H26N2O4/c1-14(2)18-10-16(8-9-21(18)26)13-25-15(3)19(11-22(27)24-12-23(28)29)17-6-4-5-7-20(17)25/h4-10,14,26H,11-13H2,1-3H3,(H,24,27)(H,28,29)
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n/an/a 8.20E+3n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Triiodothyronine from human recombinant TRalpha1 ligand binding domain after 2 to 3 hrs by beta counting


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
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50448468
PNG
(CHEMBL3126378)
Show SMILES CC(C)c1cc(Cn2c(C)c(C(=O)NCC(O)=O)c3ccccc23)ccc1O
Show InChI InChI=1S/C22H24N2O4/c1-13(2)17-10-15(8-9-19(17)25)12-24-14(3)21(22(28)23-11-20(26)27)16-6-4-5-7-18(16)24/h4-10,13,25H,11-12H2,1-3H3,(H,23,28)(H,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Triiodothyronine from human recombinant TRalpha1 ligand binding domain after 2 to 3 hrs by beta counting


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
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50448464
PNG
(CHEMBL3126376)
Show SMILES CC(C)c1cc(Cn2c(C)c(CCCCC(O)=O)c3ccccc23)ccc1O
Show InChI InChI=1S/C24H29NO3/c1-16(2)21-14-18(12-13-23(21)26)15-25-17(3)19(8-5-7-11-24(27)28)20-9-4-6-10-22(20)25/h4,6,9-10,12-14,16,26H,5,7-8,11,15H2,1-3H3,(H,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Triiodothyronine from human recombinant TRalpha1 ligand binding domain after 2 to 3 hrs by beta counting


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
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50448465
PNG
(CHEMBL3126375)
Show SMILES CC(C)c1cc(Cn2c(C)c(CCCC(O)=O)c3ccccc23)ccc1O
Show InChI InChI=1S/C23H27NO3/c1-15(2)20-13-17(11-12-22(20)25)14-24-16(3)18(8-6-10-23(26)27)19-7-4-5-9-21(19)24/h4-5,7,9,11-13,15,25H,6,8,10,14H2,1-3H3,(H,26,27)
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n/an/an/an/a 37n/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
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50448464
PNG
(CHEMBL3126376)
Show SMILES CC(C)c1cc(Cn2c(C)c(CCCCC(O)=O)c3ccccc23)ccc1O
Show InChI InChI=1S/C24H29NO3/c1-16(2)21-14-18(12-13-23(21)26)15-25-17(3)19(8-5-7-11-24(27)28)20-9-4-6-10-22(20)25/h4,6,9-10,12-14,16,26H,5,7-8,11,15H2,1-3H3,(H,27,28)
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n/an/an/an/a 62n/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
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50448463
PNG
(CHEMBL3126367)
Show SMILES CC(C)c1cc(Cn2c(C)cc3c(NC(=O)C(O)=O)cccc23)ccc1O
Show InChI InChI=1S/C21H22N2O4/c1-12(2)15-10-14(7-8-19(15)24)11-23-13(3)9-16-17(5-4-6-18(16)23)22-20(25)21(26)27/h4-10,12,24H,11H2,1-3H3,(H,22,25)(H,26,27)
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n/an/an/an/a 110n/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant TRbeta1 transfected in human HepG2 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
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50448462
PNG
(CHEMBL3126369)
Show SMILES CC(C)c1cc(Cn2ccc3c(NC(=O)C(O)=O)ccc(C)c23)ccc1O
Show InChI InChI=1S/C21H22N2O4/c1-12(2)16-10-14(5-7-18(16)24)11-23-9-8-15-17(22-20(25)21(26)27)6-4-13(3)19(15)23/h4-10,12,24H,11H2,1-3H3,(H,22,25)(H,26,27)
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n/an/an/an/a 190n/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant TRbeta1 transfected in human HepG2 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
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50448461
PNG
(CHEMBL3126370)
Show SMILES CC(C)c1cc(Cn2ccc3c(NC(=O)C(O)=O)cccc23)ccc1O
Show InChI InChI=1S/C20H20N2O4/c1-12(2)15-10-13(6-7-18(15)23)11-22-9-8-14-16(4-3-5-17(14)22)21-19(24)20(25)26/h3-10,12,23H,11H2,1-2H3,(H,21,24)(H,25,26)
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n/an/an/an/a 550n/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant TRbeta1 transfected in human HepG2 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
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50448460
PNG
(CHEMBL3126371)
Show SMILES CC(C)c1cc(Cn2c(C)cc3c(NC(=O)CC(O)=O)cccc23)ccc1O
Show InChI InChI=1S/C22H24N2O4/c1-13(2)16-10-15(7-8-20(16)25)12-24-14(3)9-17-18(5-4-6-19(17)24)23-21(26)11-22(27)28/h4-10,13,25H,11-12H2,1-3H3,(H,23,26)(H,27,28)
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n/an/an/an/a 220n/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant TRbeta1 transfected in human HepG2 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
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50448459
PNG
(CHEMBL3126372)
Show SMILES CC(C)c1cc(Cn2ccc3c(NC(=O)CC(O)=O)ccc(C)c23)ccc1O
Show InChI InChI=1S/C22H24N2O4/c1-13(2)17-10-15(5-7-19(17)25)12-24-9-8-16-18(6-4-14(3)22(16)24)23-20(26)11-21(27)28/h4-10,13,25H,11-12H2,1-3H3,(H,23,26)(H,27,28)
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n/an/an/an/a 1.30E+3n/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant TRbeta1 transfected in human HepG2 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
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50448466
PNG
(CHEMBL3126374)
Show SMILES CC(C)c1cc(Cn2c(C)c(CCC(O)=O)c3ccccc23)ccc1O
Show InChI InChI=1S/C22H25NO3/c1-14(2)19-12-16(8-10-21(19)24)13-23-15(3)17(9-11-22(25)26)18-6-4-5-7-20(18)23/h4-8,10,12,14,24H,9,11,13H2,1-3H3,(H,25,26)
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n/an/an/an/a 37n/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
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50448467
PNG
(CHEMBL3126373)
Show SMILES CC(C)c1cc(Cn2c(C)c(CC(O)=O)c3ccccc23)ccc1O
Show InChI InChI=1S/C21H23NO3/c1-13(2)17-10-15(8-9-20(17)23)12-22-14(3)18(11-21(24)25)16-6-4-5-7-19(16)22/h4-10,13,23H,11-12H2,1-3H3,(H,24,25)
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n/an/an/an/a 150n/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
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50448459
PNG
(CHEMBL3126372)
Show SMILES CC(C)c1cc(Cn2ccc3c(NC(=O)CC(O)=O)ccc(C)c23)ccc1O
Show InChI InChI=1S/C22H24N2O4/c1-13(2)17-10-15(5-7-19(17)25)12-24-9-8-16-18(6-4-14(3)22(16)24)23-20(26)11-21(27)28/h4-10,13,25H,11-12H2,1-3H3,(H,23,26)(H,27,28)
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n/an/an/an/a 3.10E+3n/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
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50448460
PNG
(CHEMBL3126371)
Show SMILES CC(C)c1cc(Cn2c(C)cc3c(NC(=O)CC(O)=O)cccc23)ccc1O
Show InChI InChI=1S/C22H24N2O4/c1-13(2)16-10-15(7-8-20(16)25)12-24-14(3)9-17-18(5-4-6-19(17)24)23-21(26)11-22(27)28/h4-10,13,25H,11-12H2,1-3H3,(H,23,26)(H,27,28)
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n/an/an/an/a 1.70E+3n/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
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 |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 2.10n/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant TRalpha1 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


(Homo sapiens (Human))
BDBM50448467
PNG
(CHEMBL3126373)
Show SMILES CC(C)c1cc(Cn2c(C)c(CC(O)=O)c3ccccc23)ccc1O
Show InChI InChI=1S/C21H23NO3/c1-13(2)17-10-15(8-9-20(17)23)12-22-14(3)18(11-21(24)25)16-6-4-5-7-19(16)22/h4-10,13,23H,11-12H2,1-3H3,(H,24,25)
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n/an/an/an/a 450n/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant TRalpha1 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
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50448466
PNG
(CHEMBL3126374)
Show SMILES CC(C)c1cc(Cn2c(C)c(CCC(O)=O)c3ccccc23)ccc1O
Show InChI InChI=1S/C22H25NO3/c1-14(2)19-12-16(8-10-21(19)24)13-23-15(3)17(9-11-22(25)26)18-6-4-5-7-20(18)23/h4-8,10,12,14,24H,9,11,13H2,1-3H3,(H,25,26)
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n/an/an/an/a 39n/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant TRalpha1 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
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50448465
PNG
(CHEMBL3126375)
Show SMILES CC(C)c1cc(Cn2c(C)c(CCCC(O)=O)c3ccccc23)ccc1O
Show InChI InChI=1S/C23H27NO3/c1-15(2)20-13-17(11-12-22(20)25)14-24-16(3)18(8-6-10-23(26)27)19-7-4-5-9-21(19)24/h4-5,7,9,11-13,15,25H,6,8,10,14H2,1-3H3,(H,26,27)
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n/an/an/an/a 180n/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant TRalpha1 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
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50448464
PNG
(CHEMBL3126376)
Show SMILES CC(C)c1cc(Cn2c(C)c(CCCCC(O)=O)c3ccccc23)ccc1O
Show InChI InChI=1S/C24H29NO3/c1-16(2)21-14-18(12-13-23(21)26)15-25-17(3)19(8-5-7-11-24(27)28)20-9-4-6-10-22(20)25/h4,6,9-10,12-14,16,26H,5,7-8,11,15H2,1-3H3,(H,27,28)
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n/an/an/an/a 100n/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant TRalpha1 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
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 |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 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))
BDBM50448461
PNG
(CHEMBL3126370)
Show SMILES CC(C)c1cc(Cn2ccc3c(NC(=O)C(O)=O)cccc23)ccc1O
Show InChI InChI=1S/C20H20N2O4/c1-12(2)15-10-13(6-7-18(15)23)11-22-9-8-14-16(4-3-5-17(14)22)21-19(24)20(25)26/h3-10,12,23H,11H2,1-2H3,(H,21,24)(H,25,26)
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n/an/an/an/a 1.90E+3n/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
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50448462
PNG
(CHEMBL3126369)
Show SMILES CC(C)c1cc(Cn2ccc3c(NC(=O)C(O)=O)ccc(C)c23)ccc1O
Show InChI InChI=1S/C21H22N2O4/c1-12(2)16-10-14(5-7-18(16)24)11-23-9-8-15-17(22-20(25)21(26)27)6-4-13(3)19(15)23/h4-10,12,24H,11H2,1-3H3,(H,22,25)(H,26,27)
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n/an/an/an/a 500n/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
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50448463
PNG
(CHEMBL3126367)
Show SMILES CC(C)c1cc(Cn2c(C)cc3c(NC(=O)C(O)=O)cccc23)ccc1O
Show InChI InChI=1S/C21H22N2O4/c1-12(2)15-10-14(7-8-19(15)24)11-23-13(3)9-16-17(5-4-6-18(16)23)22-20(25)21(26)27/h4-10,12,24H,11H2,1-3H3,(H,22,25)(H,26,27)
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n/an/an/an/a 590n/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