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Compile Data Set for Download or QSAR

Found 1662 hits Enz. Inhib. hit(s) with Target = 'Thyroid hormone receptor'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18911
PNG
(3-nitro-N-[4-({4-[(3-nitrobenzene)amido]phenyl}met...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1ccc(Cc2ccc(NC(=O)c3cccc(c3)[N+]([O-])=O)cc2)cc1
Show InChI InChI=1S/C27H20N4O6/c32-26(20-3-1-5-24(16-20)30(34)35)28-22-11-7-18(8-12-22)15-19-9-13-23(14-10-19)29-27(33)21-4-2-6-25(17-21)31(36)37/h1-14,16-17H,15H2,(H,28,32)(H,29,33)
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n/an/a 1.81E+4n/an/an/an/a7.04



Karo Bio AB



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


J Med Chem 41: 2503-12 (1998)


Article DOI: 10.1021/jm9708691
BindingDB Entry DOI: 10.7270/Q2GM85KW
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18912
PNG
(4-[(5-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl...)
Show SMILES Cn1c(Cc2nn(C)c(=O)c3ccccc23)ccc1SCC(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H19Cl2N3O2S/c1-27-15(12-20-16-5-3-4-6-17(16)23(30)28(2)26-20)8-10-22(27)31-13-21(29)18-9-7-14(24)11-19(18)25/h3-11H,12-13H2,1-2H3
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n/an/a 6.90E+4n/an/an/an/a7.04



Karo Bio AB



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


J Med Chem 41: 2503-12 (1998)


Article DOI: 10.1021/jm9708691
BindingDB Entry DOI: 10.7270/Q2GM85KW
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18860
PNG
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O
Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
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n/an/a 0.240n/an/an/an/a7.04



Karo Bio AB



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


Bioorg Med Chem Lett 16: 884-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.002
BindingDB Entry DOI: 10.7270/Q2BV7DWM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18869
PNG
(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)
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n/an/a 25n/an/an/an/a7.04



Karo Bio AB



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


Bioorg Med Chem Lett 16: 884-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.002
BindingDB Entry DOI: 10.7270/Q2BV7DWM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18913
PNG
(2-{3,5-dichloro-4-[3-(3-ethylphenyl)-4-hydroxyphen...)
Show SMILES CCc1cccc(c1)-c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C22H18Cl2O4/c1-2-13-4-3-5-15(8-13)17-12-16(6-7-20(17)25)28-22-18(23)9-14(10-19(22)24)11-21(26)27/h3-10,12,25H,2,11H2,1H3,(H,26,27)
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n/an/a 13n/an/an/an/a7.04



Karo Bio AB



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


Bioorg Med Chem Lett 16: 884-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.002
BindingDB Entry DOI: 10.7270/Q2BV7DWM
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18914
PNG
(2-[4-(3-bromo-4-propanamidophenoxy)-3,5-dichloroph...)
Show SMILES CCC(=O)Nc1ccc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)cc1Br
Show InChI InChI=1S/C17H14BrCl2NO4/c1-2-15(22)21-14-4-3-10(8-11(14)18)25-17-12(19)5-9(6-13(17)20)7-16(23)24/h3-6,8H,2,7H2,1H3,(H,21,22)(H,23,24)
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n/an/a 3.30E+3n/an/an/an/a7.04



Karo Bio AB



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


Bioorg Med Chem Lett 16: 884-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.002
BindingDB Entry DOI: 10.7270/Q2BV7DWM
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18915
PNG
(2-{4-[3-bromo-4-(2-methylpropanamido)phenoxy]-3,5-...)
Show SMILES CC(C)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)cc1Br
Show InChI InChI=1S/C18H16BrCl2NO4/c1-9(2)18(25)22-15-4-3-11(8-12(15)19)26-17-13(20)5-10(6-14(17)21)7-16(23)24/h3-6,8-9H,7H2,1-2H3,(H,22,25)(H,23,24)
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n/an/a 630n/an/an/an/a7.04



Karo Bio AB



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


Bioorg Med Chem Lett 16: 884-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.002
BindingDB Entry DOI: 10.7270/Q2BV7DWM
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18916
PNG
(2-{4-[3-bromo-4-(2-methylbutanamido)phenoxy]-3,5-d...)
Show SMILES CCC(C)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)cc1Br
Show InChI InChI=1S/C19H18BrCl2NO4/c1-3-10(2)19(26)23-16-5-4-12(9-13(16)20)27-18-14(21)6-11(7-15(18)22)8-17(24)25/h4-7,9-10H,3,8H2,1-2H3,(H,23,26)(H,24,25)
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n/an/a 240n/an/an/an/a7.04



Karo Bio AB



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


Bioorg Med Chem Lett 16: 884-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.002
BindingDB Entry DOI: 10.7270/Q2BV7DWM
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18917
PNG
(2-{4-[3-bromo-4-(2-methylpentanamido)phenoxy]-3,5-...)
Show SMILES CCCC(C)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)cc1Br
Show InChI InChI=1S/C20H20BrCl2NO4/c1-3-4-11(2)20(27)24-17-6-5-13(10-14(17)21)28-19-15(22)7-12(8-16(19)23)9-18(25)26/h5-8,10-11H,3-4,9H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a 1.30E+3n/an/an/an/a7.04



Karo Bio AB



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


Bioorg Med Chem Lett 16: 884-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.002
BindingDB Entry DOI: 10.7270/Q2BV7DWM
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18918
PNG
(2-{4-[3-bromo-4-(2-ethylbutanamido)phenoxy]-3,5-di...)
Show SMILES CCC(CC)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)cc1Br
Show InChI InChI=1S/C20H20BrCl2NO4/c1-3-12(4-2)20(27)24-17-6-5-13(10-14(17)21)28-19-15(22)7-11(8-16(19)23)9-18(25)26/h5-8,10,12H,3-4,9H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a 610n/an/an/an/a7.04



Karo Bio AB



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


Bioorg Med Chem Lett 16: 884-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.002
BindingDB Entry DOI: 10.7270/Q2BV7DWM
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18919
PNG
(2-{4-[3-bromo-4-(2-propylpentanamido)phenoxy]-3,5-...)
Show SMILES CCCC(CCC)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)cc1Br
Show InChI InChI=1S/C22H24BrCl2NO4/c1-3-5-14(6-4-2)22(29)26-19-8-7-15(12-16(19)23)30-21-17(24)9-13(10-18(21)25)11-20(27)28/h7-10,12,14H,3-6,11H2,1-2H3,(H,26,29)(H,27,28)
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n/an/a 1.20E+3n/an/an/an/a7.04



Karo Bio AB



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


Bioorg Med Chem Lett 16: 884-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.002
BindingDB Entry DOI: 10.7270/Q2BV7DWM
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=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 0.260n/an/an/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.


Bioorg Med Chem Lett 16: 884-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.002
BindingDB Entry DOI: 10.7270/Q2BV7DWM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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/an/an/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.


Bioorg Med Chem Lett 16: 884-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.002
BindingDB Entry DOI: 10.7270/Q2BV7DWM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18913
PNG
(2-{3,5-dichloro-4-[3-(3-ethylphenyl)-4-hydroxyphen...)
Show SMILES CCc1cccc(c1)-c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C22H18Cl2O4/c1-2-13-4-3-5-15(8-13)17-12-16(6-7-20(17)25)28-22-18(23)9-14(10-19(22)24)11-21(26)27/h3-10,12,25H,2,11H2,1H3,(H,26,27)
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n/an/a 0.200n/an/an/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.


Bioorg Med Chem Lett 16: 884-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.002
BindingDB Entry DOI: 10.7270/Q2BV7DWM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18914
PNG
(2-[4-(3-bromo-4-propanamidophenoxy)-3,5-dichloroph...)
Show SMILES CCC(=O)Nc1ccc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)cc1Br
Show InChI InChI=1S/C17H14BrCl2NO4/c1-2-15(22)21-14-4-3-10(8-11(14)18)25-17-12(19)5-9(6-13(17)20)7-16(23)24/h3-6,8H,2,7H2,1H3,(H,21,22)(H,23,24)
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n/an/a 140n/an/an/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.


Bioorg Med Chem Lett 16: 884-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.002
BindingDB Entry DOI: 10.7270/Q2BV7DWM
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18915
PNG
(2-{4-[3-bromo-4-(2-methylpropanamido)phenoxy]-3,5-...)
Show SMILES CC(C)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)cc1Br
Show InChI InChI=1S/C18H16BrCl2NO4/c1-9(2)18(25)22-15-4-3-11(8-12(15)19)26-17-13(20)5-10(6-14(17)21)7-16(23)24/h3-6,8-9H,7H2,1-2H3,(H,22,25)(H,23,24)
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n/an/a 18n/an/an/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.


Bioorg Med Chem Lett 16: 884-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.002
BindingDB Entry DOI: 10.7270/Q2BV7DWM
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18916
PNG
(2-{4-[3-bromo-4-(2-methylbutanamido)phenoxy]-3,5-d...)
Show SMILES CCC(C)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)cc1Br
Show InChI InChI=1S/C19H18BrCl2NO4/c1-3-10(2)19(26)23-16-5-4-12(9-13(16)20)27-18-14(21)6-11(7-15(18)22)8-17(24)25/h4-7,9-10H,3,8H2,1-2H3,(H,23,26)(H,24,25)
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n/an/a 4.30n/an/an/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.


Bioorg Med Chem Lett 16: 884-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.002
BindingDB Entry DOI: 10.7270/Q2BV7DWM
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18917
PNG
(2-{4-[3-bromo-4-(2-methylpentanamido)phenoxy]-3,5-...)
Show SMILES CCCC(C)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)cc1Br
Show InChI InChI=1S/C20H20BrCl2NO4/c1-3-4-11(2)20(27)24-17-6-5-13(10-14(17)21)28-19-15(22)7-12(8-16(19)23)9-18(25)26/h5-8,10-11H,3-4,9H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a 47n/an/an/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.


Bioorg Med Chem Lett 16: 884-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.002
BindingDB Entry DOI: 10.7270/Q2BV7DWM
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18918
PNG
(2-{4-[3-bromo-4-(2-ethylbutanamido)phenoxy]-3,5-di...)
Show SMILES CCC(CC)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)cc1Br
Show InChI InChI=1S/C20H20BrCl2NO4/c1-3-12(4-2)20(27)24-17-6-5-13(10-14(17)21)28-19-15(22)7-11(8-16(19)23)9-18(25)26/h5-8,10,12H,3-4,9H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a 16n/an/an/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.


Bioorg Med Chem Lett 16: 884-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.002
BindingDB Entry DOI: 10.7270/Q2BV7DWM
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18919
PNG
(2-{4-[3-bromo-4-(2-propylpentanamido)phenoxy]-3,5-...)
Show SMILES CCCC(CCC)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)cc1Br
Show InChI InChI=1S/C22H24BrCl2NO4/c1-3-5-14(6-4-2)22(29)26-19-8-7-15(12-16(19)23)30-21-17(24)9-13(10-18(21)25)11-20(27)28/h7-10,12,14H,3-6,11H2,1-2H3,(H,26,29)(H,27,28)
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n/an/a 45n/an/an/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.


Bioorg Med Chem Lett 16: 884-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.002
BindingDB Entry DOI: 10.7270/Q2BV7DWM
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18860
PNG
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O
Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
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n/an/a 0.240n/an/an/an/a7.04



Bristol-Myers Squibb



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


Bioorg Med Chem Lett 14: 3549-53 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.032
BindingDB Entry DOI: 10.7270/Q2736P5M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18869
PNG
(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)
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n/an/a 25n/an/an/an/a7.04



Bristol-Myers Squibb



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


Bioorg Med Chem Lett 14: 3549-53 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.032
BindingDB Entry DOI: 10.7270/Q2736P5M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor


(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 1.40n/an/an/an/a7.04



Bristol-Myers Squibb



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


Bioorg Med Chem Lett 14: 3549-53 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.032
BindingDB Entry DOI: 10.7270/Q2736P5M
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(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/a 152n/an/an/an/a7.04



Bristol-Myers Squibb



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


Bioorg Med Chem Lett 14: 3549-53 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.032
BindingDB Entry DOI: 10.7270/Q2736P5M
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18921
PNG
(2-(3,5-dichloro-4-{4-hydroxy-3-[2-(trifluoromethyl...)
Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2ccccc2C(F)(F)F)c(Cl)c1
Show InChI InChI=1S/C21H13Cl2F3O4/c22-16-7-11(9-19(28)29)8-17(23)20(16)30-12-5-6-18(27)14(10-12)13-3-1-2-4-15(13)21(24,25)26/h1-8,10,27H,9H2,(H,28,29)
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n/an/a 18n/an/an/an/a7.04



Bristol-Myers Squibb



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


Bioorg Med Chem Lett 14: 3549-53 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.032
BindingDB Entry DOI: 10.7270/Q2736P5M
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18922
PNG
(2-(3,5-dichloro-4-{4-hydroxy-3-[3-(trifluoromethyl...)
Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2cccc(c2)C(F)(F)F)c(Cl)c1
Show InChI InChI=1S/C21H13Cl2F3O4/c22-16-6-11(8-19(28)29)7-17(23)20(16)30-14-4-5-18(27)15(10-14)12-2-1-3-13(9-12)21(24,25)26/h1-7,9-10,27H,8H2,(H,28,29)
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n/an/a 40n/an/an/an/a7.04



Bristol-Myers Squibb



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


Bioorg Med Chem Lett 14: 3549-53 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.032
BindingDB Entry DOI: 10.7270/Q2736P5M
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18923
PNG
(2-(3,5-dichloro-4-{4-hydroxy-3-[4-(trifluoromethyl...)
Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2ccc(cc2)C(F)(F)F)c(Cl)c1
Show InChI InChI=1S/C21H13Cl2F3O4/c22-16-7-11(9-19(28)29)8-17(23)20(16)30-14-5-6-18(27)15(10-14)12-1-3-13(4-2-12)21(24,25)26/h1-8,10,27H,9H2,(H,28,29)
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n/an/a 515n/an/an/an/a7.04



Bristol-Myers Squibb



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


Bioorg Med Chem Lett 14: 3549-53 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.032
BindingDB Entry DOI: 10.7270/Q2736P5M
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18913
PNG
(2-{3,5-dichloro-4-[3-(3-ethylphenyl)-4-hydroxyphen...)
Show SMILES CCc1cccc(c1)-c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C22H18Cl2O4/c1-2-13-4-3-5-15(8-13)17-12-16(6-7-20(17)25)28-22-18(23)9-14(10-19(22)24)11-21(26)27/h3-10,12,25H,2,11H2,1H3,(H,26,27)
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n/an/a 13n/an/an/an/a7.04



Bristol-Myers Squibb



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


Bioorg Med Chem Lett 14: 3549-53 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.032
BindingDB Entry DOI: 10.7270/Q2736P5M
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18924
PNG
(2-(3,5-dichloro-4-{4-hydroxy-3-[3-(propan-2-yl)phe...)
Show SMILES CC(C)c1cccc(c1)-c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C23H20Cl2O4/c1-13(2)15-4-3-5-16(11-15)18-12-17(6-7-21(18)26)29-23-19(24)8-14(9-20(23)25)10-22(27)28/h3-9,11-13,26H,10H2,1-2H3,(H,27,28)
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n/an/a 124n/an/an/an/a7.04



Bristol-Myers Squibb



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


Bioorg Med Chem Lett 14: 3549-53 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.032
BindingDB Entry DOI: 10.7270/Q2736P5M
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18925
PNG
(2-{3,5-dichloro-4-[4-hydroxy-3-(3-phenylphenyl)phe...)
Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2cccc(c2)-c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C26H18Cl2O4/c27-22-11-16(13-25(30)31)12-23(28)26(22)32-20-9-10-24(29)21(15-20)19-8-4-7-18(14-19)17-5-2-1-3-6-17/h1-12,14-15,29H,13H2,(H,30,31)
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n/an/a 454n/an/an/an/a7.04



Bristol-Myers Squibb



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


Bioorg Med Chem Lett 14: 3549-53 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.032
BindingDB Entry DOI: 10.7270/Q2736P5M
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18926
PNG
(2-{3,5-dichloro-4-[4-hydroxy-3-(3-methoxyphenyl)ph...)
Show SMILES COc1cccc(c1)-c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C21H16Cl2O5/c1-27-14-4-2-3-13(10-14)16-11-15(5-6-19(16)24)28-21-17(22)7-12(8-18(21)23)9-20(25)26/h2-8,10-11,24H,9H2,1H3,(H,25,26)
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n/an/a 297n/an/an/an/a7.04



Bristol-Myers Squibb



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


Bioorg Med Chem Lett 14: 3549-53 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.032
BindingDB Entry DOI: 10.7270/Q2736P5M
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18927
PNG
(2-(3,5-dichloro-4-{3-[3-(difluoromethoxy)phenyl]-4...)
Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2cccc(OC(F)F)c2)c(Cl)c1
Show InChI InChI=1S/C21H14Cl2F2O5/c22-16-6-11(8-19(27)28)7-17(23)20(16)29-14-4-5-18(26)15(10-14)12-2-1-3-13(9-12)30-21(24)25/h1-7,9-10,21,26H,8H2,(H,27,28)
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n/an/a 30n/an/an/an/a7.04



Bristol-Myers Squibb



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


Bioorg Med Chem Lett 14: 3549-53 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.032
BindingDB Entry DOI: 10.7270/Q2736P5M
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18928
PNG
(2-(3,5-dichloro-4-{4-hydroxy-3-[3-(trifluoromethox...)
Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2cccc(OC(F)(F)F)c2)c(Cl)c1
Show InChI InChI=1S/C21H13Cl2F3O5/c22-16-6-11(8-19(28)29)7-17(23)20(16)30-13-4-5-18(27)15(10-13)12-2-1-3-14(9-12)31-21(24,25)26/h1-7,9-10,27H,8H2,(H,28,29)
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n/an/a 100n/an/an/an/a7.04



Bristol-Myers Squibb



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


Bioorg Med Chem Lett 14: 3549-53 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.032
BindingDB Entry DOI: 10.7270/Q2736P5M
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18929
PNG
(2-{3,5-dichloro-4-[4-hydroxy-3-(2-hydroxyphenyl)ph...)
Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2ccccc2O)c(Cl)c1
Show InChI InChI=1S/C20H14Cl2O5/c21-15-7-11(9-19(25)26)8-16(22)20(15)27-12-5-6-18(24)14(10-12)13-3-1-2-4-17(13)23/h1-8,10,23-24H,9H2,(H,25,26)
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n/an/a 1.05E+3n/an/an/an/a7.04



Bristol-Myers Squibb



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


Bioorg Med Chem Lett 14: 3549-53 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.032
BindingDB Entry DOI: 10.7270/Q2736P5M
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18930
PNG
(2-{3,5-dichloro-4-[4-hydroxy-3-(3-hydroxyphenyl)ph...)
Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2cccc(O)c2)c(Cl)c1
Show InChI InChI=1S/C20H14Cl2O5/c21-16-6-11(8-19(25)26)7-17(22)20(16)27-14-4-5-18(24)15(10-14)12-2-1-3-13(23)9-12/h1-7,9-10,23-24H,8H2,(H,25,26)
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n/an/a 1.16E+3n/an/an/an/a7.04



Bristol-Myers Squibb



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


Bioorg Med Chem Lett 14: 3549-53 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.032
BindingDB Entry DOI: 10.7270/Q2736P5M
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18931
PNG
(2-{3,5-dichloro-4-[4-hydroxy-3-(4-hydroxyphenyl)ph...)
Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2ccc(O)cc2)c(Cl)c1
Show InChI InChI=1S/C20H14Cl2O5/c21-16-7-11(9-19(25)26)8-17(22)20(16)27-14-5-6-18(24)15(10-14)12-1-3-13(23)4-2-12/h1-8,10,23-24H,9H2,(H,25,26)
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n/an/a 847n/an/an/an/a7.04



Bristol-Myers Squibb



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


Bioorg Med Chem Lett 14: 3549-53 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.032
BindingDB Entry DOI: 10.7270/Q2736P5M
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18932
PNG
(2-{3,5-dichloro-4-[4-hydroxy-3-(pyridin-2-yl)pheno...)
Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2ccccn2)c(Cl)c1
Show InChI InChI=1S/C19H13Cl2NO4/c20-14-7-11(9-18(24)25)8-15(21)19(14)26-12-4-5-17(23)13(10-12)16-3-1-2-6-22-16/h1-8,10,23H,9H2,(H,24,25)
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n/an/a 1.53E+3n/an/an/an/a7.04



Bristol-Myers Squibb



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


Bioorg Med Chem Lett 14: 3549-53 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.032
BindingDB Entry DOI: 10.7270/Q2736P5M
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18933
PNG
(2-{3,5-dichloro-4-[4-hydroxy-3-(pyridin-3-yl)pheno...)
Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2cccnc2)c(Cl)c1
Show InChI InChI=1S/C19H13Cl2NO4/c20-15-6-11(8-18(24)25)7-16(21)19(15)26-13-3-4-17(23)14(9-13)12-2-1-5-22-10-12/h1-7,9-10,23H,8H2,(H,24,25)
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n/an/a 819n/an/an/an/a7.04



Bristol-Myers Squibb



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


Bioorg Med Chem Lett 14: 3549-53 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.032
BindingDB Entry DOI: 10.7270/Q2736P5M
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18934
PNG
(2-{3,5-dichloro-4-[4-hydroxy-3-(pyridin-4-yl)pheno...)
Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2ccncc2)c(Cl)c1
Show InChI InChI=1S/C19H13Cl2NO4/c20-15-7-11(9-18(24)25)8-16(21)19(15)26-13-1-2-17(23)14(10-13)12-3-5-22-6-4-12/h1-8,10,23H,9H2,(H,24,25)
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n/an/a 145n/an/an/an/a7.04



Bristol-Myers Squibb



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


Bioorg Med Chem Lett 14: 3549-53 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.032
BindingDB Entry DOI: 10.7270/Q2736P5M
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18935
PNG
(2-{3,5-dichloro-4-[4-hydroxy-3-(pyrimidin-5-yl)phe...)
Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2cncnc2)c(Cl)c1
Show InChI InChI=1S/C18H12Cl2N2O4/c19-14-3-10(5-17(24)25)4-15(20)18(14)26-12-1-2-16(23)13(6-12)11-7-21-9-22-8-11/h1-4,6-9,23H,5H2,(H,24,25)
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n/an/a 269n/an/an/an/a7.04



Bristol-Myers Squibb



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


Bioorg Med Chem Lett 14: 3549-53 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.032
BindingDB Entry DOI: 10.7270/Q2736P5M
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18936
PNG
(2-{3,5-dichloro-4-[4-hydroxy-3-(1,3-thiazol-2-yl)p...)
Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2nccs2)c(Cl)c1
Show InChI InChI=1S/C17H11Cl2NO4S/c18-12-5-9(7-15(22)23)6-13(19)16(12)24-10-1-2-14(21)11(8-10)17-20-3-4-25-17/h1-6,8,21H,7H2,(H,22,23)
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n/an/a 558n/an/an/an/a7.04



Bristol-Myers Squibb



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


Bioorg Med Chem Lett 14: 3549-53 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.032
BindingDB Entry DOI: 10.7270/Q2736P5M
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18937
PNG
(2-[3,5-dichloro-4-(3-cyclohexyl-4-hydroxyphenoxy)p...)
Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)C2CCCCC2)c(Cl)c1
Show InChI InChI=1S/C20H20Cl2O4/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/h6-9,11,13,23H,1-5,10H2,(H,24,25)
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n/an/a 258n/an/an/an/a7.04



Bristol-Myers Squibb



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


Bioorg Med Chem Lett 14: 3549-53 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.032
BindingDB Entry DOI: 10.7270/Q2736P5M
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18883
PNG
(3,5-dibromo-4-[4-hydroxy-3,5-bis(propan-2-yl)pheno...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(cc2Br)C(O)=O)cc(C(C)C)c1O
Show InChI InChI=1S/C19H20Br2O4/c1-9(2)13-7-12(8-14(10(3)4)17(13)22)25-18-15(20)5-11(19(23)24)6-16(18)21/h5-10,22H,1-4H3,(H,23,24)
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n/an/a 1.60E+3n/an/an/an/a7.04



Karo Bio AB



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


J Med Chem 49: 6635-7 (2006)


Article DOI: 10.1021/jm060521i
BindingDB Entry DOI: 10.7270/Q23B5XDF
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18884
PNG
(2-(4-{[4-hydroxy-3-(4-nitrophenyl)-5-(propan-2-yl)...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(c1O)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C26H27NO6/c1-15(2)22-11-18(12-23-16(3)9-21(10-17(23)4)33-14-25(28)29)13-24(26(22)30)19-5-7-20(8-6-19)27(31)32/h5-11,13,15,30H,12,14H2,1-4H3,(H,28,29)
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n/an/a 200n/an/an/an/a7.04



Karo Bio AB



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


J Med Chem 49: 6635-7 (2006)


Article DOI: 10.1021/jm060521i
BindingDB Entry DOI: 10.7270/Q23B5XDF
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18885
PNG
(2-[4-({4-hydroxy-3-[2-(4-nitrophenyl)ethynyl]-5-(p...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(C#Cc2ccc(cc2)[N+]([O-])=O)c1O
Show InChI InChI=1S/C28H27NO6/c1-17(2)25-14-21(15-26-18(3)11-24(12-19(26)4)35-16-27(30)31)13-22(28(25)32)8-5-20-6-9-23(10-7-20)29(33)34/h6-7,9-14,17,32H,15-16H2,1-4H3,(H,30,31)
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n/an/a 93n/an/an/an/a7.04



Karo Bio AB



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


J Med Chem 49: 6635-7 (2006)


Article DOI: 10.1021/jm060521i
BindingDB Entry DOI: 10.7270/Q23B5XDF
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18886
PNG
(3-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)-5-[(E)...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(CCC(O)=O)cc2Br)cc(\C=C\c2ccncc2)c1O
Show InChI InChI=1S/C25H23Br2NO4/c1-15(2)20-14-19(13-18(24(20)31)5-3-16-7-9-28-10-8-16)32-25-21(26)11-17(12-22(25)27)4-6-23(29)30/h3,5,7-15,31H,4,6H2,1-2H3,(H,29,30)/b5-3+
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n/an/a 36n/a 32n/an/a7.04



Karo Bio AB



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


J Med Chem 49: 6635-7 (2006)


Article DOI: 10.1021/jm060521i
BindingDB Entry DOI: 10.7270/Q23B5XDF
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(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 460n/an/an/an/a7.04



Karo Bio AB



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


J Med Chem 49: 6635-7 (2006)


Article DOI: 10.1021/jm060521i
BindingDB Entry DOI: 10.7270/Q23B5XDF
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18883
PNG
(3,5-dibromo-4-[4-hydroxy-3,5-bis(propan-2-yl)pheno...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(cc2Br)C(O)=O)cc(C(C)C)c1O
Show InChI InChI=1S/C19H20Br2O4/c1-9(2)13-7-12(8-14(10(3)4)17(13)22)25-18-15(20)5-11(19(23)24)6-16(18)21/h5-10,22H,1-4H3,(H,23,24)
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n/an/a 910n/an/an/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.


J Med Chem 49: 6635-7 (2006)


Article DOI: 10.1021/jm060521i
BindingDB Entry DOI: 10.7270/Q23B5XDF
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18884
PNG
(2-(4-{[4-hydroxy-3-(4-nitrophenyl)-5-(propan-2-yl)...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(c1O)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C26H27NO6/c1-15(2)22-11-18(12-23-16(3)9-21(10-17(23)4)33-14-25(28)29)13-24(26(22)30)19-5-7-20(8-6-19)27(31)32/h5-11,13,15,30H,12,14H2,1-4H3,(H,28,29)
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n/an/a 35n/an/an/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.


J Med Chem 49: 6635-7 (2006)


Article DOI: 10.1021/jm060521i
BindingDB Entry DOI: 10.7270/Q23B5XDF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thyroid Hormone Receptor (TR-beta)


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


J Med Chem 49: 6635-7 (2006)


Article DOI: 10.1021/jm060521i
BindingDB Entry DOI: 10.7270/Q23B5XDF
More data for this
Ligand-Target Pair
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