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Found 127 hits Enz. Inhib. hit(s) with Target = 'Thyroid Hormone Receptor (TR-beta)'   
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 beta


(RAT)
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 hTRbeta.


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 beta


(RAT)
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 2.70E+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 hTRbeta.


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 beta


(RAT)
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 1.90E+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 hTRbeta.


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 beta


(RAT)
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 hTRbeta.


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 beta


(RAT)
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 9.10E+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 hTRbeta.


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 beta


(RAT)
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 hTRbeta.


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 beta


(RAT)
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 3.60E+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 hTRbeta.


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 beta


(RAT)
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 1.00E+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 hTRbeta.


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 beta


(RAT)
BDBM86690
PNG
(A 348441 | A-348441)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCO[C@H]1CCC2C(C1)C[C@@H](O)C1C3CCC(C(C)CCC(O)=O)C3[C@@H](O)CC21
Show InChI InChI=1S/C52H71NO7/c1-5-21-52(59)22-20-44-40-14-9-32-25-35(54)12-15-39(32)48(40)43(29-51(44,52)3)31-7-10-34(11-8-31)53(4)23-24-60-36-13-16-38-33(26-36)27-45(55)50-41-18-17-37(30(2)6-19-47(57)58)49(41)46(56)28-42(38)50/h7-8,10-11,25,30,33,36-38,40-46,49-50,55-56,59H,6,9,12-20,22-24,26-29H2,1-4H3,(H,57,58)/t30?,33?,36-,37?,38?,40-,41?,42?,43+,44-,45+,46-,49?,50?,51-,52-/m0/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 191-200 (2005)


Article DOI: 10.1124/jpet.104.081257
BindingDB Entry DOI: 10.7270/Q2FT8J68
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM86689
PNG
(CAS_84371-65-3 | NSC_55245 | RU-486)
Show SMILES CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(CC12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 191-200 (2005)


Article DOI: 10.1124/jpet.104.081257
BindingDB Entry DOI: 10.7270/Q2FT8J68
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(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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n/an/a 1.50E+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 (TR-beta)


(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 1.60E+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 (TR-beta)


(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 2.00E+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 (TR-beta)


(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 2.70E+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 (TR-beta)


(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 2.70E+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 (TR-beta)


(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 3.90E+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 (TR-beta)


(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 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 (TR-beta)


(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 4.30E+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 (TR-beta)


(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 1.21E+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 (TR-beta)


(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 1.27E+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 (TR-beta)


(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 1.52E+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 (TR-beta)


(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 1.50E+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
3D
3D Structure (crystal)
Thyroid Hormone Receptor (TR-beta)


(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 1.77E+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 (TR-beta)


(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 7.60E+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 (TR-beta)


(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 2.32E+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 (TR-beta)


(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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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-beta)


(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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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-beta)


(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 (TR-beta)


(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 (TR-beta)


(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 (TR-beta)


(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 6.60E+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 (TR-beta)


(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 3.39E+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 (TR-beta)


(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 4.35E+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 (TR-beta)


(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 1.86E+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 (TR-beta)


(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 1.05E+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 (TR-beta)


(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 1.14E+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 (TR-beta)


(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
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 6.91E+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 (TR-beta)


(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 6.10E+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 (TR-beta)


(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
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n/an/a 5.58E+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 (TR-beta)


(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 8.20E+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 (TR-beta)


(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)
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n/an/a 8.59E+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 (TR-beta)


(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 6.98E+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 (TR-beta)


(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 2.03E+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 (TR-beta)


(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 1.79E+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 (TR-beta)


(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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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 (TR-beta)


(Homo sapiens (human))
BDBM18849
PNG
(N-(4-hexylphenyl)-3-methylbut-2-enamide | Substitu...)
Show SMILES CCCCCCc1ccc(NC(=O)C=C(C)C)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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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 (TR-beta)


(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+
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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 (TR-beta)


(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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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 (TR-beta)


(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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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 (TR-beta)


(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 3.51E+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
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