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Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'baxter' and Initial = 'jd'   
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 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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PubMed
n/an/a 370n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Half-maximum activation of human Thyroid hormone receptor beta 1 (hTRbeta1)


J Med Chem 45: 3310-20 (2002)


BindingDB Entry DOI: 10.7270/Q20G3JHX
More data for this
Ligand-Target Pair
Thyroid hormone receptor 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 680n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Half-maximum activation of human Thyroid hormone receptor beta 1 (hTRbeta1)


J Med Chem 45: 3310-20 (2002)


BindingDB Entry DOI: 10.7270/Q20G3JHX
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thyroid hormone receptor alpha


(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 950n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Half-maximum activation of human Thyroid hormone receptor alpha1 (hTRalpha1)


J Med Chem 45: 3310-20 (2002)


BindingDB Entry DOI: 10.7270/Q20G3JHX
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(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 5.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Half-maximum activation of human Thyroid hormone receptor alpha1 (hTRalpha1)


J Med Chem 45: 3310-20 (2002)


BindingDB Entry DOI: 10.7270/Q20G3JHX
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM35905
PNG
(Tolfenamic acid | cid_610479 | flufenamic acid ana...)
Show SMILES Cc1c(Cl)cccc1Nc1ccccc1C(O)=O
Show InChI InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)
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Article
PubMed
n/an/a 4.70E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activity at androgen receptor ligand binding domain assessed as inhibition of SRC2-3 interaction after 2 hrs by fluorescence polarization assay


Proc Natl Acad Sci USA 104: 16074-9 (2007)


Article DOI: 10.1073/pnas.0708036104
BindingDB Entry DOI: 10.7270/Q2C24X9F
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50105667
PNG
(CHEMBL98135 | {4-[4-Hydroxy-1-(4-hydroxy-3-isoprop...)
Show SMILES CC(C)c1cc(ccc1O)C(CCCO)c1c(C)cc(OCC(O)=O)cc1C
Show InChI InChI=1S/C23H30O5/c1-14(2)20-12-17(7-8-21(20)25)19(6-5-9-24)23-15(3)10-18(11-16(23)4)28-13-22(26)27/h7-8,10-12,14,19,24-25H,5-6,9,13H2,1-4H3,(H,26,27)
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n/an/an/a 1.40E+3n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards thyroid hormone receptor (hTR alpha 1)


Bioorg Med Chem Lett 11: 2821-5 (2001)


BindingDB Entry DOI: 10.7270/Q21Z43QR
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50105668
PNG
(CHEMBL264527 | {4-[11-(Butyl-methyl-carbamoyl)-1-(...)
Show SMILES CCCCN(C)C(=O)CCCCCC\C=C/CCC(c1ccc(O)c(c1)C(C)C)c1c(C)cc(OCC(O)=O)cc1C
Show InChI InChI=1S/C36H53NO5/c1-7-8-21-37(6)34(39)18-16-14-12-10-9-11-13-15-17-31(29-19-20-33(38)32(24-29)26(2)3)36-27(4)22-30(23-28(36)5)42-25-35(40)41/h11,13,19-20,22-24,26,31,38H,7-10,12,14-18,21,25H2,1-6H3,(H,40,41)/b13-11-
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n/an/an/a 240n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards thyroid hormone receptor (hTR alpha 1)


Bioorg Med Chem Lett 11: 2821-5 (2001)


BindingDB Entry DOI: 10.7270/Q21Z43QR
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50105669
PNG
(CHEMBL97613 | {4-[1-(4-Hydroxy-3-isopropyl-phenyl)...)
Show SMILES CC(C)c1cc(ccc1O)C(CC=C)c1c(C)cc(OCC(O)=O)cc1C
Show InChI InChI=1S/C23H28O4/c1-6-7-19(17-8-9-21(24)20(12-17)14(2)3)23-15(4)10-18(11-16(23)5)27-13-22(25)26/h6,8-12,14,19,24H,1,7,13H2,2-5H3,(H,25,26)
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PubMed
n/an/an/a 90n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards thyroid hormone receptor (hTR beta 1)


Bioorg Med Chem Lett 11: 2821-5 (2001)


BindingDB Entry DOI: 10.7270/Q21Z43QR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50105670
PNG
(CHEMBL318132 | {4-[11-(Butyl-methyl-carbamoyl)-1-(...)
Show SMILES CCCCN(C)C(=O)CCCCCCCCCCC(c1ccc(O)c(c1)C(C)C)c1c(C)cc(OCC(O)=O)cc1C
Show InChI InChI=1S/C36H55NO5/c1-7-8-21-37(6)34(39)18-16-14-12-10-9-11-13-15-17-31(29-19-20-33(38)32(24-29)26(2)3)36-27(4)22-30(23-28(36)5)42-25-35(40)41/h19-20,22-24,26,31,38H,7-18,21,25H2,1-6H3,(H,40,41)
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n/an/an/a 148n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards thyroid hormone receptor (hTR beta 1)


Bioorg Med Chem Lett 11: 2821-5 (2001)


BindingDB Entry DOI: 10.7270/Q21Z43QR
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM18860
PNG
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r|
Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
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PubMed
n/an/an/a 0.170n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards thyroid hormone receptor (hTR alpha 1)


Bioorg Med Chem Lett 11: 2821-5 (2001)


BindingDB Entry DOI: 10.7270/Q21Z43QR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50105668
PNG
(CHEMBL264527 | {4-[11-(Butyl-methyl-carbamoyl)-1-(...)
Show SMILES CCCCN(C)C(=O)CCCCCC\C=C/CCC(c1ccc(O)c(c1)C(C)C)c1c(C)cc(OCC(O)=O)cc1C
Show InChI InChI=1S/C36H53NO5/c1-7-8-21-37(6)34(39)18-16-14-12-10-9-11-13-15-17-31(29-19-20-33(38)32(24-29)26(2)3)36-27(4)22-30(23-28(36)5)42-25-35(40)41/h11,13,19-20,22-24,26,31,38H,7-10,12,14-18,21,25H2,1-6H3,(H,40,41)/b13-11-
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n/an/an/a 720n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards thyroid hormone receptor (hTR beta 1)


Bioorg Med Chem Lett 11: 2821-5 (2001)


BindingDB Entry DOI: 10.7270/Q21Z43QR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM18860
PNG
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r|
Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
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PubMed
n/an/an/a 0.140n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards thyroid hormone receptor (hTR beta 1)


Bioorg Med Chem Lett 11: 2821-5 (2001)


BindingDB Entry DOI: 10.7270/Q21Z43QR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50105670
PNG
(CHEMBL318132 | {4-[11-(Butyl-methyl-carbamoyl)-1-(...)
Show SMILES CCCCN(C)C(=O)CCCCCCCCCCC(c1ccc(O)c(c1)C(C)C)c1c(C)cc(OCC(O)=O)cc1C
Show InChI InChI=1S/C36H55NO5/c1-7-8-21-37(6)34(39)18-16-14-12-10-9-11-13-15-17-31(29-19-20-33(38)32(24-29)26(2)3)36-27(4)22-30(23-28(36)5)42-25-35(40)41/h19-20,22-24,26,31,38H,7-18,21,25H2,1-6H3,(H,40,41)
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n/an/an/a 112n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards thyroid hormone receptor (hTR alpha 1)


Bioorg Med Chem Lett 11: 2821-5 (2001)


BindingDB Entry DOI: 10.7270/Q21Z43QR
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50105671
PNG
(CHEMBL97187 | {4-[(2,4-Dimethoxy-phenyl)-(4-hydrox...)
Show SMILES COc1ccc(C(c2ccc(O)c(c2)C(C)C)c2c(C)cc(OCC(O)=O)cc2C)c(OC)c1
Show InChI InChI=1S/C28H32O6/c1-16(2)23-13-19(7-10-24(23)29)28(22-9-8-20(32-5)14-25(22)33-6)27-17(3)11-21(12-18(27)4)34-15-26(30)31/h7-14,16,28-29H,15H2,1-6H3,(H,30,31)
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PubMed
n/an/an/a 1.40E+3n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards thyroid hormone receptor (hTR alpha 1)


Bioorg Med Chem Lett 11: 2821-5 (2001)


BindingDB Entry DOI: 10.7270/Q21Z43QR
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50105667
PNG
(CHEMBL98135 | {4-[4-Hydroxy-1-(4-hydroxy-3-isoprop...)
Show SMILES CC(C)c1cc(ccc1O)C(CCCO)c1c(C)cc(OCC(O)=O)cc1C
Show InChI InChI=1S/C23H30O5/c1-14(2)20-12-17(7-8-21(20)25)19(6-5-9-24)23-15(3)10-18(11-16(23)4)28-13-22(26)27/h7-8,10-12,14,19,24-25H,5-6,9,13H2,1-4H3,(H,26,27)
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n/an/an/a 3.60E+3n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards thyroid hormone receptor (hTR beta 1)


Bioorg Med Chem Lett 11: 2821-5 (2001)


BindingDB Entry DOI: 10.7270/Q21Z43QR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50105671
PNG
(CHEMBL97187 | {4-[(2,4-Dimethoxy-phenyl)-(4-hydrox...)
Show SMILES COc1ccc(C(c2ccc(O)c(c2)C(C)C)c2c(C)cc(OCC(O)=O)cc2C)c(OC)c1
Show InChI InChI=1S/C28H32O6/c1-16(2)23-13-19(7-10-24(23)29)28(22-9-8-20(32-5)14-25(22)33-6)27-17(3)11-21(12-18(27)4)34-15-26(30)31/h7-14,16,28-29H,15H2,1-6H3,(H,30,31)
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n/an/an/a 4.20E+3n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards thyroid hormone receptor (hTR beta 1)


Bioorg Med Chem Lett 11: 2821-5 (2001)


BindingDB Entry DOI: 10.7270/Q21Z43QR
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50105669
PNG
(CHEMBL97613 | {4-[1-(4-Hydroxy-3-isopropyl-phenyl)...)
Show SMILES CC(C)c1cc(ccc1O)C(CC=C)c1c(C)cc(OCC(O)=O)cc1C
Show InChI InChI=1S/C23H28O4/c1-6-7-19(17-8-9-21(24)20(12-17)14(2)3)23-15(4)10-18(11-16(23)5)27-13-22(25)26/h6,8-12,14,19,24H,1,7,13H2,2-5H3,(H,25,26)
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n/an/an/a 430n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards thyroid hormone receptor (hTR alpha 1)


Bioorg Med Chem Lett 11: 2821-5 (2001)


BindingDB Entry DOI: 10.7270/Q21Z43QR
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(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/an/a 200n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity against human Thyroid hormone receptor alpha1 (hTRalpha1) using radiolabeled T3


J Med Chem 45: 3310-20 (2002)


BindingDB Entry DOI: 10.7270/Q20G3JHX
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50115666
PNG
(CHEMBL109430 | {4-[4-Hydroxy-3-isopropyl-5-(4-pent...)
Show SMILES CCCCCc1ccc(cc1)C#Cc1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(C(C)C)c1O
Show InChI InChI=1S/C33H38O4/c1-6-7-8-9-25-10-12-26(13-11-25)14-15-28-18-27(19-30(22(2)3)33(28)36)20-31-23(4)16-29(17-24(31)5)37-21-32(34)35/h10-13,16-19,22,36H,6-9,20-21H2,1-5H3,(H,34,35)
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n/an/an/a 5.20n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity against human Thyroid hormone receptor alpha1 (hTRalpha1) using radiolabeled T3


J Med Chem 45: 3310-20 (2002)


BindingDB Entry DOI: 10.7270/Q20G3JHX
More data for this
Ligand-Target Pair
Thyroid hormone receptor 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/an/a 35n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity against human Thyroid hormone receptor beta 1 (hTRbeta1) using radiolabeled T3


J Med Chem 45: 3310-20 (2002)


BindingDB Entry DOI: 10.7270/Q20G3JHX
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50115667
PNG
(CHEMBL111953 | [4-(4-Hydroxy-3-isopropyl-5-phenyle...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(C#Cc2ccccc2)c1O
Show InChI InChI=1S/C28H28O4/c1-18(2)25-15-22(14-23(28(25)31)11-10-21-8-6-5-7-9-21)16-26-19(3)12-24(13-20(26)4)32-17-27(29)30/h5-9,12-15,18,31H,16-17H2,1-4H3,(H,29,30)
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n/an/an/a 490n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity against human Thyroid hormone receptor alpha1 (hTRalpha1) using radiolabeled T3


J Med Chem 45: 3310-20 (2002)


BindingDB Entry DOI: 10.7270/Q20G3JHX
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM18860
PNG
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r|
Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
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n/an/an/a 0.100n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity against human Thyroid hormone receptor alpha1 (hTRalpha1) using radiolabeled T3


J Med Chem 45: 3310-20 (2002)


BindingDB Entry DOI: 10.7270/Q20G3JHX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor 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/an/a 20n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity against human Thyroid hormone receptor beta 1 (hTRbeta1) using radiolabeled T3


J Med Chem 45: 3310-20 (2002)


BindingDB Entry DOI: 10.7270/Q20G3JHX
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM18860
PNG
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r|
Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
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n/an/an/a 0.100n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity against human Thyroid hormone receptor beta 1 (hTRbeta1) using radiolabeled T3


J Med Chem 45: 3310-20 (2002)


BindingDB Entry DOI: 10.7270/Q20G3JHX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50115668
PNG
(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23)
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n/an/an/a 1.80n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity against human Thyroid hormone receptor alpha1 (hTRalpha1) using radiolabeled T3


J Med Chem 45: 3310-20 (2002)


BindingDB Entry DOI: 10.7270/Q20G3JHX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50115669
PNG
(CHEMBL110158 | {4-[3-(4-Amino-phenylethynyl)-4-hyd...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(C#Cc2ccc(N)cc2)c1O
Show InChI InChI=1S/C28H29NO4/c1-17(2)25-14-21(13-22(28(25)32)8-5-20-6-9-23(29)10-7-20)15-26-18(3)11-24(12-19(26)4)33-16-27(30)31/h6-7,9-14,17,32H,15-16,29H2,1-4H3,(H,30,31)
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n/an/an/a 330n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity against human Thyroid hormone receptor alpha1 (hTRalpha1) using radiolabeled T3


J Med Chem 45: 3310-20 (2002)


BindingDB Entry DOI: 10.7270/Q20G3JHX
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


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



University of California

Curated by ChEMBL


Assay Description
Half-maximum activation of human Thyroid hormone receptor beta 1 (hTRbeta1)


J Med Chem 45: 3310-20 (2002)


BindingDB Entry DOI: 10.7270/Q20G3JHX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50115666
PNG
(CHEMBL109430 | {4-[4-Hydroxy-3-isopropyl-5-(4-pent...)
Show SMILES CCCCCc1ccc(cc1)C#Cc1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(C(C)C)c1O
Show InChI InChI=1S/C33H38O4/c1-6-7-8-9-25-10-12-26(13-11-25)14-15-28-18-27(19-30(22(2)3)33(28)36)20-31-23(4)16-29(17-24(31)5)37-21-32(34)35/h10-13,16-19,22,36H,6-9,20-21H2,1-5H3,(H,34,35)
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n/an/an/a 0.520n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity against human Thyroid hormone receptor beta 1 (hTRbeta1) using radiolabeled T3


J Med Chem 45: 3310-20 (2002)


BindingDB Entry DOI: 10.7270/Q20G3JHX
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50115668
PNG
(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23)
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n/an/an/an/a 7n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Half-maximum activation of human Thyroid hormone receptor beta 1 (hTRbeta1)


J Med Chem 45: 3310-20 (2002)


BindingDB Entry DOI: 10.7270/Q20G3JHX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50115666
PNG
(CHEMBL109430 | {4-[4-Hydroxy-3-isopropyl-5-(4-pent...)
Show SMILES CCCCCc1ccc(cc1)C#Cc1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(C(C)C)c1O
Show InChI InChI=1S/C33H38O4/c1-6-7-8-9-25-10-12-26(13-11-25)14-15-28-18-27(19-30(22(2)3)33(28)36)20-31-23(4)16-29(17-24(31)5)37-21-32(34)35/h10-13,16-19,22,36H,6-9,20-21H2,1-5H3,(H,34,35)
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n/an/an/an/a 380n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Half-maximum activation of human Thyroid hormone receptor beta 1 (hTRbeta1)


J Med Chem 45: 3310-20 (2002)


BindingDB Entry DOI: 10.7270/Q20G3JHX
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50115667
PNG
(CHEMBL111953 | [4-(4-Hydroxy-3-isopropyl-5-phenyle...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(C#Cc2ccccc2)c1O
Show InChI InChI=1S/C28H28O4/c1-18(2)25-15-22(14-23(28(25)31)11-10-21-8-6-5-7-9-21)16-26-19(3)12-24(13-20(26)4)32-17-27(29)30/h5-9,12-15,18,31H,16-17H2,1-4H3,(H,29,30)
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n/an/an/a 37n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity against human Thyroid hormone receptor beta 1 (hTRbeta1) using radiolabeled T3


J Med Chem 45: 3310-20 (2002)


BindingDB Entry DOI: 10.7270/Q20G3JHX
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50115668
PNG
(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23)
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n/an/an/an/a 45n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Half-maximum activation of human Thyroid hormone receptor alpha1 (hTRalpha1)


J Med Chem 45: 3310-20 (2002)


BindingDB Entry DOI: 10.7270/Q20G3JHX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50115668
PNG
(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23)
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n/an/an/a 0.100n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity against human Thyroid hormone receptor beta 1 (hTRbeta1) using radiolabeled T3


J Med Chem 45: 3310-20 (2002)


BindingDB Entry DOI: 10.7270/Q20G3JHX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor alpha


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



University of California

Curated by ChEMBL


Assay Description
Half-maximum activation of human Thyroid hormone receptor alpha1 (hTRalpha1)


J Med Chem 45: 3310-20 (2002)


BindingDB Entry DOI: 10.7270/Q20G3JHX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor alpha


(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/an/a 93n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity against human Thyroid hormone receptor alpha1 (hTRalpha1) using radiolabeled T3


J Med Chem 45: 3310-20 (2002)


BindingDB Entry DOI: 10.7270/Q20G3JHX
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50115667
PNG
(CHEMBL111953 | [4-(4-Hydroxy-3-isopropyl-5-phenyle...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(C#Cc2ccccc2)c1O
Show InChI InChI=1S/C28H28O4/c1-18(2)25-15-22(14-23(28(25)31)11-10-21-8-6-5-7-9-21)16-26-19(3)12-24(13-20(26)4)32-17-27(29)30/h5-9,12-15,18,31H,16-17H2,1-4H3,(H,29,30)
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n/an/an/an/a 500n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Half-maximum activation of human Thyroid hormone receptor beta 1 (hTRbeta1)


J Med Chem 45: 3310-20 (2002)


BindingDB Entry DOI: 10.7270/Q20G3JHX
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50115669
PNG
(CHEMBL110158 | {4-[3-(4-Amino-phenylethynyl)-4-hyd...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(C#Cc2ccc(N)cc2)c1O
Show InChI InChI=1S/C28H29NO4/c1-17(2)25-14-21(13-22(28(25)32)8-5-20-6-9-23(29)10-7-20)15-26-18(3)11-24(12-19(26)4)33-16-27(30)31/h6-7,9-14,17,32H,15-16,29H2,1-4H3,(H,30,31)
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n/an/an/a 90n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity against human Thyroid hormone receptor beta 1 (hTRbeta1) using radiolabeled T3


J Med Chem 45: 3310-20 (2002)


BindingDB Entry DOI: 10.7270/Q20G3JHX
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50130594
PNG
(3-[4-(4-Hydroxy-3-isopropyl-benzyl)-3,5-dimethyl-p...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(CCC(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C21H26O3/c1-13(2)18-11-17(5-7-20(18)22)12-19-14(3)9-16(10-15(19)4)6-8-21(23)24/h5,7,9-11,13,22H,6,8,12H2,1-4H3,(H,23,24)
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n/an/an/a 0.220n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against thyroid hormone receptor beta 1


J Med Chem 46: 3152-61 (2003)


Article DOI: 10.1021/jm0301181
BindingDB Entry DOI: 10.7270/Q2NK3DF9
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM18860
PNG
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r|
Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
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Article
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n/an/an/a 0.0600n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against Thyroid hormone receptor alpha1


J Med Chem 46: 3152-61 (2003)


Article DOI: 10.1021/jm0301181
BindingDB Entry DOI: 10.7270/Q2NK3DF9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM18860
PNG
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r|
Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
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Article
PubMed
n/an/an/a 0.0870n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against thyroid hormone receptor beta 1


J Med Chem 46: 3152-61 (2003)


Article DOI: 10.1021/jm0301181
BindingDB Entry DOI: 10.7270/Q2NK3DF9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50115668
PNG
(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23)
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Article
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n/an/an/a 0.100n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against thyroid hormone receptor beta 1


J Med Chem 46: 3152-61 (2003)


Article DOI: 10.1021/jm0301181
BindingDB Entry DOI: 10.7270/Q2NK3DF9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50130595
PNG
(2-Amino-3-[4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-d...)
Show SMILES CC(C)c1cc(Oc2c(C)cc(C[C@H](N)C(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C20H25NO4/c1-11(2)16-10-15(5-6-18(16)22)25-19-12(3)7-14(8-13(19)4)9-17(21)20(23)24/h5-8,10-11,17,22H,9,21H2,1-4H3,(H,23,24)/t17-/m0/s1
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PubMed
n/an/an/a 8.5n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against Thyroid hormone receptor alpha1


J Med Chem 46: 3152-61 (2003)


Article DOI: 10.1021/jm0301181
BindingDB Entry DOI: 10.7270/Q2NK3DF9
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50130597
PNG
(2-Amino-3-[4-(4-hydroxy-3-isopropyl-benzyl)-3,5-di...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(C[C@H](N)C(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C21H27NO3/c1-12(2)17-9-15(5-6-20(17)23)10-18-13(3)7-16(8-14(18)4)11-19(22)21(24)25/h5-9,12,19,23H,10-11,22H2,1-4H3,(H,24,25)/t19-/m0/s1
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n/an/an/a 1.26n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against thyroid hormone receptor beta 1


J Med Chem 46: 3152-61 (2003)


Article DOI: 10.1021/jm0301181
BindingDB Entry DOI: 10.7270/Q2NK3DF9
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50130596
PNG
(CHEMBL419016 | [4-(4-Hydroxy-3-isopropyl-phenoxy)-...)
Show SMILES CC(C)c1cc(Oc2c(C)cc(OCC(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C19H22O5/c1-11(2)16-9-14(5-6-17(16)20)24-19-12(3)7-15(8-13(19)4)23-10-18(21)22/h5-9,11,20H,10H2,1-4H3,(H,21,22)
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n/an/an/a 0.360n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against thyroid hormone receptor beta 1


J Med Chem 46: 3152-61 (2003)


Article DOI: 10.1021/jm0301181
BindingDB Entry DOI: 10.7270/Q2NK3DF9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50130594
PNG
(3-[4-(4-Hydroxy-3-isopropyl-benzyl)-3,5-dimethyl-p...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(CCC(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C21H26O3/c1-13(2)18-11-17(5-7-20(18)22)12-19-14(3)9-16(10-15(19)4)6-8-21(23)24/h5,7,9-11,13,22H,6,8,12H2,1-4H3,(H,23,24)
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PubMed
n/an/an/a 0.690n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against Thyroid hormone receptor alpha1


J Med Chem 46: 3152-61 (2003)


Article DOI: 10.1021/jm0301181
BindingDB Entry DOI: 10.7270/Q2NK3DF9
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50130595
PNG
(2-Amino-3-[4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-d...)
Show SMILES CC(C)c1cc(Oc2c(C)cc(C[C@H](N)C(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C20H25NO4/c1-11(2)16-10-15(5-6-18(16)22)25-19-12(3)7-14(8-13(19)4)9-17(21)20(23)24/h5-8,10-11,17,22H,9,21H2,1-4H3,(H,23,24)/t17-/m0/s1
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PubMed
n/an/an/a 6.20n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against thyroid hormone receptor beta 1


J Med Chem 46: 3152-61 (2003)


Article DOI: 10.1021/jm0301181
BindingDB Entry DOI: 10.7270/Q2NK3DF9
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50130596
PNG
(CHEMBL419016 | [4-(4-Hydroxy-3-isopropyl-phenoxy)-...)
Show SMILES CC(C)c1cc(Oc2c(C)cc(OCC(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C19H22O5/c1-11(2)16-9-14(5-6-17(16)20)24-19-12(3)7-15(8-13(19)4)23-10-18(21)22/h5-9,11,20H,10H2,1-4H3,(H,21,22)
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n/an/an/a 2.40n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against Thyroid hormone receptor alpha1


J Med Chem 46: 3152-61 (2003)


Article DOI: 10.1021/jm0301181
BindingDB Entry DOI: 10.7270/Q2NK3DF9
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50130597
PNG
(2-Amino-3-[4-(4-hydroxy-3-isopropyl-benzyl)-3,5-di...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(C[C@H](N)C(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C21H27NO3/c1-12(2)17-9-15(5-6-20(17)23)10-18-13(3)7-16(8-14(18)4)11-19(22)21(24)25/h5-9,12,19,23H,10-11,22H2,1-4H3,(H,24,25)/t19-/m0/s1
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n/an/an/a 2.02n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against Thyroid hormone receptor alpha1


J Med Chem 46: 3152-61 (2003)


Article DOI: 10.1021/jm0301181
BindingDB Entry DOI: 10.7270/Q2NK3DF9
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50115668
PNG
(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23)
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Article
PubMed
n/an/an/a 0.660n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against Thyroid hormone receptor alpha1


J Med Chem 46: 3152-61 (2003)


Article DOI: 10.1021/jm0301181
BindingDB Entry DOI: 10.7270/Q2NK3DF9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50130595
PNG
(2-Amino-3-[4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-d...)
Show SMILES CC(C)c1cc(Oc2c(C)cc(C[C@H](N)C(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C20H25NO4/c1-11(2)16-10-15(5-6-18(16)22)25-19-12(3)7-14(8-13(19)4)9-17(21)20(23)24/h5-8,10-11,17,22H,9,21H2,1-4H3,(H,23,24)/t17-/m0/s1
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PubMed
n/an/an/a 9.80n/an/an/an/an/a



University of California, San Francisco



Assay Description
Human thyroid hormone receptor alpha and beta (hTR alpha1) and (hTR beta1) were produced using TNT coupled reticulocyte lysate system from Promega.


Chem Biol 5: 299-306 (1998)


Article DOI: 10.1016/s1074-5521(98)90168-5
BindingDB Entry DOI: 10.7270/Q2W0949S
More data for this
Ligand-Target Pair
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