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Compile Data Set for Download or QSAR

Found 46 hits of ic50 for UniProtKB: P10827   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thyroid hormone receptor alpha [148-410]


(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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PubMed
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 alpha [148-410]


(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 alpha [148-410]


(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 alpha [148-410]


(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 alpha [148-410]


(Homo sapiens (Human))
BDBM18857
PNG
(3-bromo-1-(4-hexylphenyl)propan-1-one | beta-bromo...)
Show SMILES CCCCCCc1ccc(cc1)C(=O)CCBr
Show InChI InChI=1S/C15H21BrO/c1-2-3-4-5-6-13-7-9-14(10-8-13)15(17)11-12-16/h7-10H,2-6,11-12H2,1H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



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 alpha [148-410]


(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 alpha [148-410]


(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 alpha [148-410]


(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 alpha [148-410]


(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 alpha [148-410]


(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 alpha [148-410]


(Homo sapiens (Human))
BDBM18854
PNG
(4-hexylphenyl prop-2-ynoate | Propiolic acid deriv...)
Show SMILES CCCCCCc1ccc(OC(=O)C#C)cc1
Show InChI InChI=1S/C15H18O2/c1-3-5-6-7-8-13-9-11-14(12-10-13)17-15(16)4-2/h2,9-12H,3,5-8H2,1H3
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n/an/a 1.67E+4n/an/an/an/an/an/a



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 alpha [148-410]


(Homo sapiens (Human))
BDBM18847
PNG
((2Z)-3-[(4-hexylphenyl)carbamoyl]prop-2-enoic acid...)
Show SMILES CCCCCCc1ccc(NC(=O)\C=C/C(O)=O)cc1
Show InChI InChI=1S/C16H21NO3/c1-2-3-4-5-6-13-7-9-14(10-8-13)17-15(18)11-12-16(19)20/h7-12H,2-6H2,1H3,(H,17,18)(H,19,20)/b12-11-
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n/an/a 1.75E+4n/an/an/an/an/an/a



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 alpha [148-410]


(Homo sapiens (Human))
BDBM18827
PNG
((2E)-1-(4-heptylphenyl)but-2-en-1-one | Enone, 4b)
Show SMILES CCCCCCCc1ccc(cc1)C(=O)C=CC |w:16.17|
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 alpha [148-410]


(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 alpha [148-410]


(Homo sapiens (Human))
BDBM18839
PNG
(4-octylphenyl prop-2-enoate | Substituted Acrylate...)
Show SMILES CCCCCCCCc1ccc(OC(=O)C=C)cc1
Show InChI InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-15-11-13-16(14-12-15)19-17(18)4-2/h4,11-14H,2-3,5-10H2,1H3
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n/an/a 2.14E+4n/an/an/an/an/an/a



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 alpha [148-410]


(Homo sapiens (Human))
BDBM18846
PNG
(N-(4-hexylphenyl)prop-2-enamide | Substituted Acry...)
Show SMILES CCCCCCc1ccc(NC(=O)C=C)cc1
Show InChI InChI=1S/C15H21NO/c1-3-5-6-7-8-13-9-11-14(12-10-13)16-15(17)4-2/h4,9-12H,2-3,5-8H2,1H3,(H,16,17)
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n/an/a 2.16E+4n/an/an/an/an/an/a



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 alpha [148-410]


(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 alpha [148-410]


(Homo sapiens (Human))
BDBM18838
PNG
(4-heptylphenyl prop-2-enoate | Substituted Acrylat...)
Show SMILES CCCCCCCc1ccc(OC(=O)C=C)cc1
Show InChI InChI=1S/C16H22O2/c1-3-5-6-7-8-9-14-10-12-15(13-11-14)18-16(17)4-2/h4,10-13H,2-3,5-9H2,1H3
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n/an/a 2.30E+4n/an/an/an/an/an/a



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 alpha [148-410]


(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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PubMed
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 alpha [148-410]


(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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PubMed
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 alpha [148-410]


(Homo sapiens (Human))
BDBM18859
PNG
(2-[(4-hexylphenyl)carbonyl]oxirane | epoxy-ketone,...)
Show SMILES CCCCCCc1ccc(cc1)C(=O)C1CO1
Show InChI InChI=1S/C15H20O2/c1-2-3-4-5-6-12-7-9-13(10-8-12)15(16)14-11-17-14/h7-10,14H,2-6,11H2,1H3
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n/an/a 3.32E+4n/an/an/an/an/an/a



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 alpha [148-410]


(Homo sapiens (Human))
BDBM18843
PNG
(Substituted Acrylate, 6k | hexyl 2-(prop-2-enoylox...)
Show SMILES CCCCCCOC(=O)c1ccccc1OC(=O)C=C
Show InChI InChI=1S/C16H20O4/c1-3-5-6-9-12-19-16(18)13-10-7-8-11-14(13)20-15(17)4-2/h4,7-8,10-11H,2-3,5-6,9,12H2,1H3
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n/an/a 3.91E+4n/an/an/an/an/an/a



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 alpha [148-410]


(Homo sapiens (Human))
BDBM18837
PNG
(4-hexylphenyl prop-2-enoate | Substituted Acrylate...)
Show SMILES CCCCCCc1ccc(OC(=O)C=C)cc1
Show InChI InChI=1S/C15H20O2/c1-3-5-6-7-8-13-9-11-14(12-10-13)17-15(16)4-2/h4,9-12H,2-3,5-8H2,1H3
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n/an/a 4.52E+4n/an/an/an/an/an/a



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 alpha [148-410]


(Homo sapiens (Human))
BDBM18855
PNG
(2-chloro-1-(4-hexylphenyl)ethan-1-one | alpha-chlo...)
Show SMILES CCCCCCc1ccc(cc1)C(=O)CCl
Show InChI InChI=1S/C14H19ClO/c1-2-3-4-5-6-12-7-9-13(10-8-12)14(16)11-15/h7-10H,2-6,11H2,1H3
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n/an/a 4.77E+4n/an/an/an/an/an/a



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 alpha [148-410]


(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 alpha [148-410]


(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 alpha [148-410]


(Homo sapiens (Human))
BDBM18853
PNG
(N-(4-hexylphenyl)prop-2-ynamide | Propiolic acid d...)
Show SMILES CCCCCCc1ccc(NC(=O)C#C)cc1
Show InChI InChI=1S/C15H19NO/c1-3-5-6-7-8-13-9-11-14(12-10-13)16-15(17)4-2/h2,9-12H,3,5-8H2,1H3,(H,16,17)
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n/an/a 6.89E+4n/an/an/an/an/an/a



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 alpha [148-410]


(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 alpha [148-410]


(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 alpha [148-410]


(Homo sapiens (Human))
BDBM18840
PNG
(4-(2-methylbutan-2-yl)cyclohexyl prop-2-enoate | S...)
Show SMILES CCC(C)(C)C1CCC(CC1)OC(=O)C=C |(22,-28.08,;20.71,-27.32,;20.65,-25.77,;22.21,-25.77,;19.15,-25.77,;20.65,-24.21,;22,-23.51,;22.05,-21.95,;20.71,-21.2,;19.36,-21.9,;19.31,-23.46,;20.71,-19.64,;19.36,-18.89,;19.36,-17.33,;18.02,-19.64,;16.68,-18.83,)|
Show InChI InChI=1S/C14H24O2/c1-5-13(15)16-12-9-7-11(8-10-12)14(3,4)6-2/h5,11-12H,1,6-10H2,2-4H3
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n/an/a 7.56E+4n/an/an/an/an/an/a



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 alpha [148-410]


(Homo sapiens (Human))
BDBM18845
PNG
(5,6,7,8-tetrahydronaphthalen-2-yl prop-2-enoate | ...)
Show SMILES C=CC(=O)Oc1ccc2CCCCc2c1
Show InChI InChI=1S/C13H14O2/c1-2-13(14)15-12-8-7-10-5-3-4-6-11(10)9-12/h2,7-9H,1,3-6H2
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n/an/a 8.53E+4n/an/an/an/an/an/a



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 alpha [148-410]


(Homo sapiens (Human))
BDBM18848
PNG
((2E)-N-(4-hexylphenyl)but-2-enamide | Substituted ...)
Show SMILES CCCCCCc1ccc(NC(=O)\C=C\C)cc1
Show InChI InChI=1S/C16H23NO/c1-3-5-6-7-9-14-10-12-15(13-11-14)17-16(18)8-4-2/h4,8,10-13H,3,5-7,9H2,1-2H3,(H,17,18)/b8-4+
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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 alpha [148-410]


(Homo sapiens (Human))
BDBM18849
PNG
(N-(4-hexylphenyl)-3-methylbut-2-enamide | Substitu...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-c1ccc(-[#7]-[#6](=O)\[#6]=[#6](\[#6])-[#6])cc1
Show InChI InChI=1S/C17H25NO/c1-4-5-6-7-8-15-9-11-16(12-10-15)18-17(19)13-14(2)3/h9-13H,4-8H2,1-3H3,(H,18,19)
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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 alpha [148-410]


(Homo sapiens (Human))
BDBM18841
PNG
(Substituted Acrylate, 6i | propyl 4-(prop-2-enoylo...)
Show SMILES CCCOC(=O)c1ccc(OC(=O)C=C)cc1
Show InChI InChI=1S/C13H14O4/c1-3-9-16-13(15)10-5-7-11(8-6-10)17-12(14)4-2/h4-8H,2-3,9H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



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 alpha [148-410]


(Homo sapiens (Human))
BDBM18851
PNG
(3-[(4-hexylphenyl)carbamoyl]-2-methylidenepropanoi...)
Show SMILES CCCCCCc1ccc(NC(=O)CC(=C)C(O)=O)cc1
Show InChI InChI=1S/C17H23NO3/c1-3-4-5-6-7-14-8-10-15(11-9-14)18-16(19)12-13(2)17(20)21/h8-11H,2-7,12H2,1H3,(H,18,19)(H,20,21)
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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 alpha [148-410]


(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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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 alpha [148-410]


(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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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 alpha [148-410]


(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 |w:17.18|
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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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 alpha [148-410]


(Homo sapiens (Human))
BDBM18852
PNG
(3-[(4-hexylphenyl)carbamoyl]propanoic acid | Subst...)
Show SMILES CCCCCCc1ccc(NC(=O)CCC(O)=O)cc1
Show InChI InChI=1S/C16H23NO3/c1-2-3-4-5-6-13-7-9-14(10-8-13)17-15(18)11-12-16(19)20/h7-10H,2-6,11-12H2,1H3,(H,17,18)(H,19,20)
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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 alpha [148-410]


(Homo sapiens (Human))
BDBM18856
PNG
(2-fluoro-1-(4-hexylphenyl)ethan-1-one | alpha-fluo...)
Show SMILES CCCCCCc1ccc(cc1)C(=O)CF
Show InChI InChI=1S/C14H19FO/c1-2-3-4-5-6-12-7-9-13(10-8-12)14(16)11-15/h7-10H,2-6,11H2,1H3
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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 alpha [148-410]


(Homo sapiens (Human))
BDBM18829
PNG
(1-(4-heptylphenyl)-3-methylbut-2-en-1-one | Enone,...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-c1ccc(cc1)-[#6](=O)\[#6]=[#6](\[#6])-[#6]
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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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 alpha [148-410]


(Homo sapiens (Human))
BDBM18858
PNG
(4-bromo-1-(4-hexylphenyl)butan-1-one | gamma-bromo...)
Show SMILES CCCCCCc1ccc(cc1)C(=O)CCCBr
Show InChI InChI=1S/C16H23BrO/c1-2-3-4-5-7-14-9-11-15(12-10-14)16(18)8-6-13-17/h9-12H,2-8,13H2,1H3
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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 alpha [148-410]


(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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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 alpha [148-410]


(Homo sapiens (Human))
BDBM18844
PNG
(4-butanamidophenyl prop-2-enoate | Substituted Acr...)
Show SMILES CCCC(=O)Nc1ccc(OC(=O)C=C)cc1
Show InChI InChI=1S/C13H15NO3/c1-3-5-12(15)14-10-6-8-11(9-7-10)17-13(16)4-2/h4,6-9H,2-3,5H2,1H3,(H,14,15)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



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 alpha [148-410]


(Homo sapiens (Human))
BDBM18842
PNG
(Substituted Acrylate, 6j | pentyl 4-(prop-2-enoylo...)
Show SMILES CCCCCOC(=O)c1ccc(OC(=O)C=C)cc1
Show InChI InChI=1S/C15H18O4/c1-3-5-6-11-18-15(17)12-7-9-13(10-8-12)19-14(16)4-2/h4,7-10H,2-3,5-6,11H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



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 alpha [148-410]


(Homo sapiens (Human))
BDBM18850
PNG
((2E)-N-(4-hexylphenyl)-3-phenylprop-2-enamide | Su...)
Show SMILES CCCCCCc1ccc(NC(=O)\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C21H25NO/c1-2-3-4-6-11-19-12-15-20(16-13-19)22-21(23)17-14-18-9-7-5-8-10-18/h5,7-10,12-17H,2-4,6,11H2,1H3,(H,22,23)/b17-14+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



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