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Compile Data Set for Download or QSAR

Found 24 hits with Last Name = 'nguyen' and Initial = 'nh'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM18885
PNG
(2-[4-({4-hydroxy-3-[2-(4-nitrophenyl)ethynyl]-5-(p...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(C#Cc2ccc(cc2)[N+]([O-])=O)c1O
Show InChI InChI=1S/C28H27NO6/c1-17(2)25-14-21(15-26-18(3)11-24(12-19(26)4)35-16-27(30)31)13-22(28(25)32)8-5-20-6-9-23(10-7-20)29(33)34/h6-7,9-14,17,32H,15-16H2,1-4H3,(H,30,31)
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n/an/a 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 (TR-beta)


(Homo sapiens (Human))
BDBM18884
PNG
(2-(4-{[4-hydroxy-3-(4-nitrophenyl)-5-(propan-2-yl)...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(c1O)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C26H27NO6/c1-15(2)22-11-18(12-23-16(3)9-21(10-17(23)4)33-14-25(28)29)13-24(26(22)30)19-5-7-20(8-6-19)27(31)32/h5-11,13,15,30H,12,14H2,1-4H3,(H,28,29)
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n/an/a 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


(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


(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
Thyroid hormone receptor


(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


(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 (TR-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


(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


(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 (TR-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 (TR-beta)


(Homo sapiens (Human))
BDBM18884
PNG
(2-(4-{[4-hydroxy-3-(4-nitrophenyl)-5-(propan-2-yl)...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(c1O)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C26H27NO6/c1-15(2)22-11-18(12-23-16(3)9-21(10-17(23)4)33-14-25(28)29)13-24(26(22)30)19-5-7-20(8-6-19)27(31)32/h5-11,13,15,30H,12,14H2,1-4H3,(H,28,29)
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n/an/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


(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 (TR-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 (TR-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 (TR-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 (TR-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


(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 (TR-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


(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


(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


(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 (TR-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 (TR-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 (TR-beta)


(Homo sapiens (Human))
BDBM18885
PNG
(2-[4-({4-hydroxy-3-[2-(4-nitrophenyl)ethynyl]-5-(p...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(C#Cc2ccc(cc2)[N+]([O-])=O)c1O
Show InChI InChI=1S/C28H27NO6/c1-17(2)25-14-21(15-26-18(3)11-24(12-19(26)4)35-16-27(30)31)13-22(28(25)32)8-5-20-6-9-23(10-7-20)29(33)34/h6-7,9-14,17,32H,15-16H2,1-4H3,(H,30,31)
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n/an/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