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Compile Data Set for Download or QSAR

Found 31 hits of ph data with Target = 'Thyroid Hormone Receptor (TR-alpha)'   
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-alpha)


(Homo sapiens (human))
BDBM18814
PNG
(1-(4-hexylphenyl)-3-[methyl(2-phenylethyl)amino]pr...)
Show SMILES CCCCCCc1ccc(cc1)C(=O)CCN(C)CCc1ccccc1
Show InChI InChI=1S/C24H33NO/c1-3-4-5-7-12-22-13-15-23(16-14-22)24(26)18-20-25(2)19-17-21-10-8-6-9-11-21/h6,8-11,13-16H,3-5,7,12,17-20H2,1-2H3
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PubMed
n/an/a 3.60E+3n/an/an/an/a7.222



St. Jude Research Hospital



Assay Description
IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...


J Med Chem 50: 5269-5280 (2007)


Article DOI: 10.1021/jm070556y
BindingDB Entry DOI: 10.7270/Q24B2ZK8
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Homo sapiens (human))
BDBM18815
PNG
(1-(4-hexylphenyl)-3-[(2-hydroxyethyl)(methyl)amino...)
Show SMILES CCCCCCc1ccc(cc1)C(=O)CCN(C)CCO
Show InChI InChI=1S/C18H29NO2/c1-3-4-5-6-7-16-8-10-17(11-9-16)18(21)12-13-19(2)14-15-20/h8-11,20H,3-7,12-15H2,1-2H3
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n/an/a 3.00E+3n/an/an/an/a7.222



St. Jude Research Hospital



Assay Description
IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...


J Med Chem 50: 5269-5280 (2007)


Article DOI: 10.1021/jm070556y
BindingDB Entry DOI: 10.7270/Q24B2ZK8
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Homo sapiens (human))
BDBM18836
PNG
(4-(2-methylbutan-2-yl)phenyl prop-2-enoate | Subst...)
Show SMILES CCC(C)(C)c1ccc(OC(=O)C=C)cc1
Show InChI InChI=1S/C14H18O2/c1-5-13(15)16-12-9-7-11(8-10-12)14(3,4)6-2/h5,7-10H,1,6H2,2-4H3
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n/an/a 6.96E+4n/an/an/an/a7.222



St. Jude Research Hospital



Assay Description
IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...


J Med Chem 50: 5269-5280 (2007)


Article DOI: 10.1021/jm070556y
BindingDB Entry DOI: 10.7270/Q24B2ZK8
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Homo sapiens (human))
BDBM18835
PNG
(4-pentylphenyl prop-2-enoate | Substituted Acrylat...)
Show SMILES CCCCCc1ccc(OC(=O)C=C)cc1
Show InChI InChI=1S/C14H18O2/c1-3-5-6-7-12-8-10-13(11-9-12)16-14(15)4-2/h4,8-11H,2-3,5-7H2,1H3
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n/an/a 6.09E+4n/an/an/an/a7.222



St. Jude Research Hospital



Assay Description
IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...


J Med Chem 50: 5269-5280 (2007)


Article DOI: 10.1021/jm070556y
BindingDB Entry DOI: 10.7270/Q24B2ZK8
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Homo sapiens (human))
BDBM18834
PNG
(4-butylphenyl prop-2-enoate | Substituted Acrylate...)
Show SMILES CCCCc1ccc(OC(=O)C=C)cc1
Show InChI InChI=1S/C13H16O2/c1-3-5-6-11-7-9-12(10-8-11)15-13(14)4-2/h4,7-10H,2-3,5-6H2,1H3
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n/an/a 7.10E+4n/an/an/an/a7.222



St. Jude Research Hospital



Assay Description
IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...


J Med Chem 50: 5269-5280 (2007)


Article DOI: 10.1021/jm070556y
BindingDB Entry DOI: 10.7270/Q24B2ZK8
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Homo sapiens (human))
BDBM18833
PNG
(4-propylphenyl prop-2-enoate | Substituted Acrylat...)
Show SMILES CCCc1ccc(OC(=O)C=C)cc1
Show InChI InChI=1S/C12H14O2/c1-3-5-10-6-8-11(9-7-10)14-12(13)4-2/h4,6-9H,2-3,5H2,1H3
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n/an/a>1.00E+5n/an/an/an/a7.222



St. Jude Research Hospital



Assay Description
IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...


J Med Chem 50: 5269-5280 (2007)


Article DOI: 10.1021/jm070556y
BindingDB Entry DOI: 10.7270/Q24B2ZK8
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Homo sapiens (human))
BDBM18832
PNG
(1-(4-hexylphenyl)propan-1-one | Enone, 4g)
Show SMILES CCCCCCc1ccc(cc1)C(=O)CC
Show InChI InChI=1S/C15H22O/c1-3-5-6-7-8-13-9-11-14(12-10-13)15(16)4-2/h9-12H,3-8H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/a7.222



St. Jude Research Hospital



Assay Description
IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...


J Med Chem 50: 5269-5280 (2007)


Article DOI: 10.1021/jm070556y
BindingDB Entry DOI: 10.7270/Q24B2ZK8
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Homo sapiens (human))
BDBM18831
PNG
((2E)-1-(4-heptylphenyl)-3-phenylprop-2-en-1-one | ...)
Show SMILES CCCCCCCc1ccc(cc1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C22H26O/c1-2-3-4-5-7-12-20-13-16-21(17-14-20)22(23)18-15-19-10-8-6-9-11-19/h6,8-11,13-18H,2-5,7,12H2,1H3/b18-15+
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n/an/a>1.00E+5n/an/an/an/a7.222



St. Jude Research Hospital



Assay Description
IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...


J Med Chem 50: 5269-5280 (2007)


Article DOI: 10.1021/jm070556y
BindingDB Entry DOI: 10.7270/Q24B2ZK8
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Homo sapiens (human))
BDBM18830
PNG
((2E)-1-(4-heptylphenyl)-2-methylbut-2-en-1-one | E...)
Show SMILES CCCCCCCc1ccc(cc1)C(=O)C(C)=CC
Show InChI InChI=1S/C18H26O/c1-4-6-7-8-9-10-16-11-13-17(14-12-16)18(19)15(3)5-2/h5,11-14H,4,6-10H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/a7.222



St. Jude Research Hospital



Assay Description
IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...


J Med Chem 50: 5269-5280 (2007)


Article DOI: 10.1021/jm070556y
BindingDB Entry DOI: 10.7270/Q24B2ZK8
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Homo sapiens (human))
BDBM18816
PNG
(3-[bis(propan-2-yl)amino]-1-(4-hexylphenyl)propan-...)
Show SMILES CCCCCCc1ccc(cc1)C(=O)CCN(C(C)C)C(C)C
Show InChI InChI=1S/C21H35NO/c1-6-7-8-9-10-19-11-13-20(14-12-19)21(23)15-16-22(17(2)3)18(4)5/h11-14,17-18H,6-10,15-16H2,1-5H3
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n/an/a 4.10E+3n/an/an/an/a7.222



St. Jude Research Hospital



Assay Description
IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...


J Med Chem 50: 5269-5280 (2007)


Article DOI: 10.1021/jm070556y
BindingDB Entry DOI: 10.7270/Q24B2ZK8
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Homo sapiens (human))
BDBM18817
PNG
(1-(4-hexylphenyl)-3-(pyrrolidin-1-yl)propan-1-one ...)
Show SMILES CCCCCCc1ccc(cc1)C(=O)CCN1CCCC1
Show InChI InChI=1S/C19H29NO/c1-2-3-4-5-8-17-9-11-18(12-10-17)19(21)13-16-20-14-6-7-15-20/h9-12H,2-8,13-16H2,1H3
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n/an/a 4.30E+3n/an/an/an/a7.222



St. Jude Research Hospital



Assay Description
IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...


J Med Chem 50: 5269-5280 (2007)


Article DOI: 10.1021/jm070556y
BindingDB Entry DOI: 10.7270/Q24B2ZK8
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Homo sapiens (human))
BDBM18818
PNG
(1-(4-hexylphenyl)-3-(morpholin-4-yl)propan-1-one |...)
Show SMILES CCCCCCc1ccc(cc1)C(=O)CCN1CCOCC1
Show InChI InChI=1S/C19H29NO2/c1-2-3-4-5-6-17-7-9-18(10-8-17)19(21)11-12-20-13-15-22-16-14-20/h7-10H,2-6,11-16H2,1H3
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n/an/a 4.10E+3n/an/an/an/a7.222



St. Jude Research Hospital



Assay Description
IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...


J Med Chem 50: 5269-5280 (2007)


Article DOI: 10.1021/jm070556y
BindingDB Entry DOI: 10.7270/Q24B2ZK8
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Homo sapiens (human))
BDBM18819
PNG
(beta-Aminophenylketone, 3f | methyl 1-[3-(4-hexylp...)
Show SMILES CCCCCCc1ccc(cc1)C(=O)CCN1CCC(CC1)C(=O)OC
Show InChI InChI=1S/C22H33NO3/c1-3-4-5-6-7-18-8-10-19(11-9-18)21(24)14-17-23-15-12-20(13-16-23)22(25)26-2/h8-11,20H,3-7,12-17H2,1-2H3
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n/an/a 6.30E+3n/an/an/an/a7.222



St. Jude Research Hospital



Assay Description
IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...


J Med Chem 50: 5269-5280 (2007)


Article DOI: 10.1021/jm070556y
BindingDB Entry DOI: 10.7270/Q24B2ZK8
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Homo sapiens (human))
BDBM18820
PNG
(3-(dibutylamino)-1-(4-hexylphenyl)propan-1-one | b...)
Show SMILES CCCCCCc1ccc(cc1)C(=O)CCN(CCCC)CCCC
Show InChI InChI=1S/C23H39NO/c1-4-7-10-11-12-21-13-15-22(16-14-21)23(25)17-20-24(18-8-5-2)19-9-6-3/h13-16H,4-12,17-20H2,1-3H3
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n/an/a 6.90E+3n/an/an/an/a7.222



St. Jude Research Hospital



Assay Description
IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...


J Med Chem 50: 5269-5280 (2007)


Article DOI: 10.1021/jm070556y
BindingDB Entry DOI: 10.7270/Q24B2ZK8
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Homo sapiens (human))
BDBM18821
PNG
(3-(dimethylamino)-1-(4-hexylphenyl)propan-1-one | ...)
Show SMILES CCCCCCc1ccc(cc1)C(=O)CCN(C)C
Show InChI InChI=1S/C17H27NO/c1-4-5-6-7-8-15-9-11-16(12-10-15)17(19)13-14-18(2)3/h9-12H,4-8,13-14H2,1-3H3
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n/an/a 1.06E+4n/an/an/an/a7.222



St. Jude Research Hospital



Assay Description
IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...


J Med Chem 50: 5269-5280 (2007)


Article DOI: 10.1021/jm070556y
BindingDB Entry DOI: 10.7270/Q24B2ZK8
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Homo sapiens (human))
BDBM18822
PNG
(3-[(furan-2-ylmethyl)(methyl)amino]-1-(4-hexylphen...)
Show SMILES CCCCCCc1ccc(cc1)C(=O)CCN(C)Cc1ccco1
Show InChI InChI=1S/C21H29NO2/c1-3-4-5-6-8-18-10-12-19(13-11-18)21(23)14-15-22(2)17-20-9-7-16-24-20/h7,9-13,16H,3-6,8,14-15,17H2,1-2H3
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n/an/a 2.26E+4n/an/an/an/a7.222



St. Jude Research Hospital



Assay Description
IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...


J Med Chem 50: 5269-5280 (2007)


Article DOI: 10.1021/jm070556y
BindingDB Entry DOI: 10.7270/Q24B2ZK8
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Homo sapiens (human))
BDBM18823
PNG
(3-(dicyclohexylamino)-1-(4-hexylphenyl)propan-1-on...)
Show SMILES CCCCCCc1ccc(cc1)C(=O)CCN(C1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C27H43NO/c1-2-3-4-7-12-23-17-19-24(20-18-23)27(29)21-22-28(25-13-8-5-9-14-25)26-15-10-6-11-16-26/h17-20,25-26H,2-16,21-22H2,1H3
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n/an/a 1.65E+4n/an/an/an/a7.222



St. Jude Research Hospital



Assay Description
IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...


J Med Chem 50: 5269-5280 (2007)


Article DOI: 10.1021/jm070556y
BindingDB Entry DOI: 10.7270/Q24B2ZK8
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Homo sapiens (human))
BDBM18824
PNG
(1-(4-hexylphenyl)-3-(propylamino)propan-1-one | be...)
Show SMILES CCCCCCc1ccc(cc1)C(=O)CCNCCC
Show InChI InChI=1S/C18H29NO/c1-3-5-6-7-8-16-9-11-17(12-10-16)18(20)13-15-19-14-4-2/h9-12,19H,3-8,13-15H2,1-2H3
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n/an/a 2.58E+4n/an/an/an/a7.222



St. Jude Research Hospital



Assay Description
IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...


J Med Chem 50: 5269-5280 (2007)


Article DOI: 10.1021/jm070556y
BindingDB Entry DOI: 10.7270/Q24B2ZK8
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Homo sapiens (human))
BDBM18825
PNG
(1-(4-hexylphenyl)prop-2-en-1-one | Enone, 1)
Show SMILES CCCCCCc1ccc(cc1)C(=O)C=C
Show InChI InChI=1S/C15H20O/c1-3-5-6-7-8-13-9-11-14(12-10-13)15(16)4-2/h4,9-12H,2-3,5-8H2,1H3
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n/an/a 2.81E+4n/an/an/an/a7.222



St. Jude Research Hospital



Assay Description
IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...


J Med Chem 50: 5269-5280 (2007)


Article DOI: 10.1021/jm070556y
BindingDB Entry DOI: 10.7270/Q24B2ZK8
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Homo sapiens (human))
BDBM18826
PNG
((2E)-4-(4-hexylphenyl)-4-oxobut-2-enoic acid | Eno...)
Show SMILES CCCCCCc1ccc(cc1)C(=O)\C=C\C(O)=O
Show InChI InChI=1S/C16H20O3/c1-2-3-4-5-6-13-7-9-14(10-8-13)15(17)11-12-16(18)19/h7-12H,2-6H2,1H3,(H,18,19)/b12-11+
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n/an/a 1.92E+4n/an/an/an/a7.222



St. Jude Research Hospital



Assay Description
IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...


J Med Chem 50: 5269-5280 (2007)


Article DOI: 10.1021/jm070556y
BindingDB Entry DOI: 10.7270/Q24B2ZK8
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Homo sapiens (human))
BDBM18827
PNG
((2E)-1-(4-heptylphenyl)but-2-en-1-one | Enone, 4b)
Show SMILES CCCCCCCc1ccc(cc1)C(=O)C=CC
Show InChI InChI=1S/C17H24O/c1-3-5-6-7-8-10-15-11-13-16(14-12-15)17(18)9-4-2/h4,9,11-14H,3,5-8,10H2,1-2H3
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n/an/a 1.89E+4n/an/an/an/a7.222



St. Jude Research Hospital



Assay Description
IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...


J Med Chem 50: 5269-5280 (2007)


Article DOI: 10.1021/jm070556y
BindingDB Entry DOI: 10.7270/Q24B2ZK8
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Homo sapiens (human))
BDBM18828
PNG
(1-(4-heptylphenyl)-2-methylprop-2-en-1-one | Enone...)
Show SMILES CCCCCCCc1ccc(cc1)C(=O)C(C)=C
Show InChI InChI=1S/C17H24O/c1-4-5-6-7-8-9-15-10-12-16(13-11-15)17(18)14(2)3/h10-13H,2,4-9H2,1,3H3
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n/an/a 5.29E+4n/an/an/an/a7.222



St. Jude Research Hospital



Assay Description
IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...


J Med Chem 50: 5269-5280 (2007)


Article DOI: 10.1021/jm070556y
BindingDB Entry DOI: 10.7270/Q24B2ZK8
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Homo sapiens (human))
BDBM18829
PNG
(1-(4-heptylphenyl)-3-methylbut-2-en-1-one | Enone,...)
Show SMILES CCCCCCCc1ccc(cc1)C(=O)C=C(C)C
Show InChI InChI=1S/C18H26O/c1-4-5-6-7-8-9-16-10-12-17(13-11-16)18(19)14-15(2)3/h10-14H,4-9H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/a7.222



St. Jude Research Hospital



Assay Description
IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...


J Med Chem 50: 5269-5280 (2007)


Article DOI: 10.1021/jm070556y
BindingDB Entry DOI: 10.7270/Q24B2ZK8
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Gallus gallus (chicken))
BDBM18963
PNG
(4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2-iodophen...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(O)c(I)c1
Show InChI InChI=1S/C19H17IO3/c1-2-3-7-17-18(13-6-4-5-8-16(13)23-17)19(22)12-9-10-15(21)14(20)11-12/h4-6,8-11,21H,2-3,7H2,1H3
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n/an/a 1.13E+5n/an/an/an/a7.622



University of Amsterdam



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


Endocrinology 137: 2807-14 (1996)


Article DOI: 10.1210/endo.137.7.8770901
BindingDB Entry DOI: 10.7270/Q2ZK5DX4
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Gallus gallus (chicken))
BDBM18962
PNG
(4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-diiodo...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1
Show InChI InChI=1S/C19H16I2O3/c1-2-3-7-16-17(12-6-4-5-8-15(12)24-16)18(22)11-9-13(20)19(23)14(21)10-11/h4-6,8-10,23H,2-3,7H2,1H3
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n/an/a 3.80E+4n/an/an/an/a7.622



University of Amsterdam



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


Endocrinology 137: 2807-14 (1996)


Article DOI: 10.1210/endo.137.7.8770901
BindingDB Entry DOI: 10.7270/Q2ZK5DX4
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Gallus gallus (chicken))
BDBM18961
PNG
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenoxy...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCN(CC)CC)cc1
Show InChI InChI=1S/C25H31NO3/c1-4-7-11-23-24(21-10-8-9-12-22(21)29-23)25(27)19-13-15-20(16-14-19)28-18-17-26(5-2)6-3/h8-10,12-16H,4-7,11,17-18H2,1-3H3
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n/an/a 1.62E+5n/an/an/an/a7.622



University of Amsterdam



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


Endocrinology 137: 2807-14 (1996)


Article DOI: 10.1210/endo.137.7.8770901
BindingDB Entry DOI: 10.7270/Q2ZK5DX4
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Gallus gallus (chicken))
BDBM18960
PNG
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2-iodo...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCN(CC)CC)c(I)c1
Show InChI InChI=1S/C25H30INO3/c1-4-7-11-23-24(19-10-8-9-12-21(19)30-23)25(28)18-13-14-22(20(26)17-18)29-16-15-27(5-2)6-3/h8-10,12-14,17H,4-7,11,15-16H2,1-3H3
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n/an/a>2.00E+5n/an/an/an/a7.622



University of Amsterdam



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


Endocrinology 137: 2807-14 (1996)


Article DOI: 10.1210/endo.137.7.8770901
BindingDB Entry DOI: 10.7270/Q2ZK5DX4
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Gallus gallus (chicken))
BDBM18959
PNG
(3-{[4-(2-aminoethoxy)-3,5-diiodophenyl]carbonyl}-2...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN)c(I)c1
Show InChI InChI=1S/C21H21I2NO3/c1-2-3-7-18-19(14-6-4-5-8-17(14)27-18)20(25)13-11-15(22)21(16(23)12-13)26-10-9-24/h4-6,8,11-12H,2-3,7,9-10,24H2,1H3
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n/an/a 3.70E+4n/an/an/an/a7.622



University of Amsterdam



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


Endocrinology 137: 2807-14 (1996)


Article DOI: 10.1210/endo.137.7.8770901
BindingDB Entry DOI: 10.7270/Q2ZK5DX4
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Gallus gallus (chicken))
BDBM18958
PNG
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCNCC)c(I)c1
Show InChI InChI=1S/C23H25I2NO3/c1-3-5-9-20-21(16-8-6-7-10-19(16)29-20)22(27)15-13-17(24)23(18(25)14-15)28-12-11-26-4-2/h6-8,10,13-14,26H,3-5,9,11-12H2,1-2H3
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n/an/a 4.70E+4n/an/an/an/a7.622



University of Amsterdam



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


Endocrinology 137: 2807-14 (1996)


Article DOI: 10.1210/endo.137.7.8770901
BindingDB Entry DOI: 10.7270/Q2ZK5DX4
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Gallus gallus (chicken))
BDBM18957
PNG
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1
Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3
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n/an/a>2.00E+5n/an/an/an/a7.622



University of Amsterdam



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


Endocrinology 137: 2807-14 (1996)


Article DOI: 10.1210/endo.137.7.8770901
BindingDB Entry DOI: 10.7270/Q2ZK5DX4
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Gallus gallus (chicken))
BDBM18964
PNG
(4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenol | L ...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3
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n/an/a>2.00E+6n/an/an/an/a7.622



University of Amsterdam



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


Endocrinology 137: 2807-14 (1996)


Article DOI: 10.1210/endo.137.7.8770901
BindingDB Entry DOI: 10.7270/Q2ZK5DX4
More data for this
Ligand-Target Pair