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PubMed code 17254783

Compile data set for download or QSAR
Found 30 hits of Enzyme Inhibition Constant Data   
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))
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.


Bioorg Med Chem Lett 17: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(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 22n/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 17: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18896
PNG
(3-(3,5-dibromo-4-{[3-(ethylamino)phenyl]methoxy}ph...)
Show SMILES CCNc1cccc(COc2c(Br)cc(CCC(O)=O)cc2Br)c1
Show InChI InChI=1S/C18H19Br2NO3/c1-2-21-14-5-3-4-13(8-14)11-24-18-15(19)9-12(10-16(18)20)6-7-17(22)23/h3-5,8-10,21H,2,6-7,11H2,1H3,(H,22,23)
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n/an/a 23n/a 49n/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: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
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.


Bioorg Med Chem Lett 17: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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/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 17: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18894
PNG
(3-{3,5-dibromo-4-[(3-bromophenyl)methoxy]phenyl}pr...)
Show SMILES OC(=O)CCc1cc(Br)c(OCc2cccc(Br)c2)c(Br)c1
Show InChI InChI=1S/C16H13Br3O3/c17-12-3-1-2-11(6-12)9-22-16-13(18)7-10(8-14(16)19)4-5-15(20)21/h1-3,6-8H,4-5,9H2,(H,20,21)
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n/an/a 60n/a 230n/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: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18896
PNG
(3-(3,5-dibromo-4-{[3-(ethylamino)phenyl]methoxy}ph...)
Show SMILES CCNc1cccc(COc2c(Br)cc(CCC(O)=O)cc2Br)c1
Show InChI InChI=1S/C18H19Br2NO3/c1-2-21-14-5-3-4-13(8-14)11-24-18-15(19)9-12(10-16(18)20)6-7-17(22)23/h3-5,8-10,21H,2,6-7,11H2,1H3,(H,22,23)
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n/an/a 78n/a 23n/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 ...


Bioorg Med Chem Lett 17: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18897
PNG
(3-(3,5-dibromo-4-{[3-(diethylamino)phenyl]methoxy}...)
Show SMILES CCN(CC)c1cccc(COc2c(Br)cc(CCC(O)=O)cc2Br)c1
Show InChI InChI=1S/C20H23Br2NO3/c1-3-23(4-2)16-7-5-6-15(10-16)13-26-20-17(21)11-14(12-18(20)22)8-9-19(24)25/h5-7,10-12H,3-4,8-9,13H2,1-2H3,(H,24,25)
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n/an/a 87n/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 17: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
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.


Bioorg Med Chem Lett 17: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18894
PNG
(3-{3,5-dibromo-4-[(3-bromophenyl)methoxy]phenyl}pr...)
Show SMILES OC(=O)CCc1cc(Br)c(OCc2cccc(Br)c2)c(Br)c1
Show InChI InChI=1S/C16H13Br3O3/c17-12-3-1-2-11(6-12)9-22-16-13(18)7-10(8-14(16)19)4-5-15(20)21/h1-3,6-8H,4-5,9H2,(H,20,21)
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n/an/a 99n/a 380n/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 ...


Bioorg Med Chem Lett 17: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18890
PNG
(3-{3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl}p...)
Show SMILES Cc1cccc(COc2c(Br)cc(CCC(O)=O)cc2Br)c1
Show InChI InChI=1S/C17H16Br2O3/c1-11-3-2-4-13(7-11)10-22-17-14(18)8-12(9-15(17)19)5-6-16(20)21/h2-4,7-9H,5-6,10H2,1H3,(H,20,21)
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n/an/a 120n/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 17: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18892
PNG
(3-(3,5-dibromo-4-{[3-(trifluoromethyl)phenyl]metho...)
Show SMILES OC(=O)CCc1cc(Br)c(OCc2cccc(c2)C(F)(F)F)c(Br)c1
Show InChI InChI=1S/C17H13Br2F3O3/c18-13-7-10(4-5-15(23)24)8-14(19)16(13)25-9-11-2-1-3-12(6-11)17(20,21)22/h1-3,6-8H,4-5,9H2,(H,23,24)
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n/an/a 160n/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 17: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18893
PNG
(3-{3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl}p...)
Show SMILES OC(=O)CCc1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1
Show InChI InChI=1S/C16H13Br2ClO3/c17-13-7-10(4-5-15(20)21)8-14(18)16(13)22-9-11-2-1-3-12(19)6-11/h1-3,6-8H,4-5,9H2,(H,20,21)
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n/an/a 190n/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 17: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
More data for this
Ligand-Target Pair
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/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 17: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18889
PNG
(3-{3,5-dibromo-4-[(2-methylphenyl)methoxy]phenyl}p...)
Show SMILES Cc1ccccc1COc1c(Br)cc(CCC(O)=O)cc1Br
Show InChI InChI=1S/C17H16Br2O3/c1-11-4-2-3-5-13(11)10-22-17-14(18)8-12(9-15(17)19)6-7-16(20)21/h2-5,8-9H,6-7,10H2,1H3,(H,20,21)
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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 hTRbeta.


Bioorg Med Chem Lett 17: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
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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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 17: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18888
PNG
(3-[4-(benzyloxy)-3,5-dibromophenyl]propanoic acid ...)
Show SMILES OC(=O)CCc1cc(Br)c(OCc2ccccc2)c(Br)c1
Show InChI InChI=1S/C16H14Br2O3/c17-13-8-12(6-7-15(19)20)9-14(18)16(13)21-10-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,19,20)
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n/an/a 230n/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 17: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18891
PNG
(3-{3,5-dibromo-4-[(4-methylphenyl)methoxy]phenyl}p...)
Show SMILES Cc1ccc(COc2c(Br)cc(CCC(O)=O)cc2Br)cc1
Show InChI InChI=1S/C17H16Br2O3/c1-11-2-4-12(5-3-11)10-22-17-14(18)8-13(9-15(17)19)6-7-16(20)21/h2-5,8-9H,6-7,10H2,1H3,(H,20,21)
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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 17: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18890
PNG
(3-{3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl}p...)
Show SMILES Cc1cccc(COc2c(Br)cc(CCC(O)=O)cc2Br)c1
Show InChI InChI=1S/C17H16Br2O3/c1-11-3-2-4-13(7-11)10-22-17-14(18)8-12(9-15(17)19)5-6-16(20)21/h2-4,7-9H,5-6,10H2,1H3,(H,20,21)
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n/an/a 360n/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 17: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18892
PNG
(3-(3,5-dibromo-4-{[3-(trifluoromethyl)phenyl]metho...)
Show SMILES OC(=O)CCc1cc(Br)c(OCc2cccc(c2)C(F)(F)F)c(Br)c1
Show InChI InChI=1S/C17H13Br2F3O3/c18-13-7-10(4-5-15(23)24)8-14(19)16(13)25-9-11-2-1-3-12(6-11)17(20,21)22/h1-3,6-8H,4-5,9H2,(H,23,24)
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n/an/a 370n/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 17: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
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.


Bioorg Med Chem Lett 17: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18897
PNG
(3-(3,5-dibromo-4-{[3-(diethylamino)phenyl]methoxy}...)
Show SMILES CCN(CC)c1cccc(COc2c(Br)cc(CCC(O)=O)cc2Br)c1
Show InChI InChI=1S/C20H23Br2NO3/c1-3-23(4-2)16-7-5-6-15(10-16)13-26-20-17(21)11-14(12-18(20)22)8-9-19(24)25/h5-7,10-12H,3-4,8-9,13H2,1-2H3,(H,24,25)
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n/an/a 480n/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 17: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18893
PNG
(3-{3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl}p...)
Show SMILES OC(=O)CCc1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1
Show InChI InChI=1S/C16H13Br2ClO3/c17-13-7-10(4-5-15(20)21)8-14(18)16(13)22-9-11-2-1-3-12(19)6-11/h1-3,6-8H,4-5,9H2,(H,20,21)
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n/an/a 500n/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 17: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18891
PNG
(3-{3,5-dibromo-4-[(4-methylphenyl)methoxy]phenyl}p...)
Show SMILES Cc1ccc(COc2c(Br)cc(CCC(O)=O)cc2Br)cc1
Show InChI InChI=1S/C17H16Br2O3/c1-11-2-4-12(5-3-11)10-22-17-14(18)8-13(9-15(17)19)6-7-16(20)21/h2-5,8-9H,6-7,10H2,1H3,(H,20,21)
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n/an/a 600n/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 17: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18888
PNG
(3-[4-(benzyloxy)-3,5-dibromophenyl]propanoic acid ...)
Show SMILES OC(=O)CCc1cc(Br)c(OCc2ccccc2)c(Br)c1
Show InChI InChI=1S/C16H14Br2O3/c17-13-8-12(6-7-15(19)20)9-14(18)16(13)21-10-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,19,20)
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n/an/a 680n/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 17: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18895
PNG
(3-{4-[(3-aminophenyl)methoxy]-3,5-dibromophenyl}pr...)
Show SMILES Nc1cccc(COc2c(Br)cc(CCC(O)=O)cc2Br)c1
Show InChI InChI=1S/C16H15Br2NO3/c17-13-7-10(4-5-15(20)21)8-14(18)16(13)22-9-11-2-1-3-12(19)6-11/h1-3,6-8H,4-5,9,19H2,(H,20,21)
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n/an/a 820n/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 17: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
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.


Bioorg Med Chem Lett 17: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18889
PNG
(3-{3,5-dibromo-4-[(2-methylphenyl)methoxy]phenyl}p...)
Show SMILES Cc1ccccc1COc1c(Br)cc(CCC(O)=O)cc1Br
Show InChI InChI=1S/C17H16Br2O3/c1-11-4-2-3-5-13(11)10-22-17-14(18)8-12(9-15(17)19)6-7-16(20)21/h2-5,8-9H,6-7,10H2,1H3,(H,20,21)
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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 17: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
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.


Bioorg Med Chem Lett 17: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18895
PNG
(3-{4-[(3-aminophenyl)methoxy]-3,5-dibromophenyl}pr...)
Show SMILES Nc1cccc(COc2c(Br)cc(CCC(O)=O)cc2Br)c1
Show InChI InChI=1S/C16H15Br2NO3/c17-13-7-10(4-5-15(20)21)8-14(18)16(13)22-9-11-2-1-3-12(19)6-11/h1-3,6-8H,4-5,9,19H2,(H,20,21)
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n/an/a 2.60E+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.


Bioorg Med Chem Lett 17: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%