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Compile Data Set for Download or QSAR

Found 649 hits of ic50 for UniProtKB: P10828   
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 beta


(Homo sapiens (Human))
BDBM18864
PNG
(3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]pr...)
Show SMILES OC(=O)CCc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
Show InChI InChI=1S/C15H11I3O4/c16-10-7-9(2-3-13(10)19)22-15-11(17)5-8(6-12(15)18)1-4-14(20)21/h2-3,5-7,19H,1,4H2,(H,20,21)
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n/an/a 0.0190n/an/an/an/a7.04



Karo Bio AB



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


J Med Chem 46: 1580-8 (2003)


Article DOI: 10.1021/jm021080f
BindingDB Entry DOI: 10.7270/Q20K26TG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM18864
PNG
(3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]pr...)
Show SMILES OC(=O)CCc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
Show InChI InChI=1S/C15H11I3O4/c16-10-7-9(2-3-13(10)19)22-15-11(17)5-8(6-12(15)18)1-4-14(20)21/h2-3,5-7,19H,1,4H2,(H,20,21)
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n/an/a 0.0191n/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of thyroid hormone receptor beta


Bioorg Med Chem 15: 4609-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.015
BindingDB Entry DOI: 10.7270/Q2W37XJQ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM18864
PNG
(3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]pr...)
Show SMILES OC(=O)CCc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
Show InChI InChI=1S/C15H11I3O4/c16-10-7-9(2-3-13(10)19)22-15-11(17)5-8(6-12(15)18)1-4-14(20)21/h2-3,5-7,19H,1,4H2,(H,20,21)
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n/an/a 0.0191n/an/an/an/an/an/a



University of Insubria

Curated by ChEMBL


Assay Description
Inhibition of human thyroid hormone receptor beta 1


Bioorg Med Chem 15: 5251-61 (2007)


Article DOI: 10.1016/j.bmc.2007.05.016
BindingDB Entry DOI: 10.7270/Q2PK0HD8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM18865
PNG
(3-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(CCC(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C18H18Br2O4/c1-10(2)13-9-12(4-5-16(13)21)24-18-14(19)7-11(8-15(18)20)3-6-17(22)23/h4-5,7-10,21H,3,6H2,1-2H3,(H,22,23)
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n/an/a 0.0250n/an/an/an/a7.04



Karo Bio AB



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


J Med Chem 46: 1580-8 (2003)


Article DOI: 10.1021/jm021080f
BindingDB Entry DOI: 10.7270/Q20K26TG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM18865
PNG
(3-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(CCC(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C18H18Br2O4/c1-10(2)13-9-12(4-5-16(13)21)24-18-14(19)7-11(8-15(18)20)3-6-17(22)23/h4-5,7-10,21H,3,6H2,1-2H3,(H,22,23)
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n/an/a 0.0251n/an/an/an/an/an/a



University of Insubria

Curated by ChEMBL


Assay Description
Inhibition of human thyroid hormone receptor beta 1


Bioorg Med Chem 15: 5251-61 (2007)


Article DOI: 10.1016/j.bmc.2007.05.016
BindingDB Entry DOI: 10.7270/Q2PK0HD8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM18865
PNG
(3-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(CCC(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C18H18Br2O4/c1-10(2)13-9-12(4-5-16(13)21)24-18-14(19)7-11(8-15(18)20)3-6-17(22)23/h4-5,7-10,21H,3,6H2,1-2H3,(H,22,23)
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n/an/a 0.0251n/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of thyroid hormone receptor beta


Bioorg Med Chem 15: 4609-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.015
BindingDB Entry DOI: 10.7270/Q2W37XJQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM18862
PNG
(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)
Show SMILES OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
Show InChI InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)
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n/an/a 0.0407n/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of thyroid hormone receptor beta


Bioorg Med Chem 15: 4609-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.015
BindingDB Entry DOI: 10.7270/Q2W37XJQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM18862
PNG
(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)
Show SMILES OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
Show InChI InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)
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n/an/a 0.0479n/an/an/an/an/an/a



University of Insubria

Curated by ChEMBL


Assay Description
Inhibition of human thyroid hormone receptor beta 1


Bioorg Med Chem 15: 5251-61 (2007)


Article DOI: 10.1016/j.bmc.2007.05.016
BindingDB Entry DOI: 10.7270/Q2PK0HD8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM18862
PNG
(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)
Show SMILES OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
Show InChI InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)
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n/an/a 0.0480n/an/an/an/a7.04



Karo Bio AB



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


J Med Chem 46: 1580-8 (2003)


Article DOI: 10.1021/jm021080f
BindingDB Entry DOI: 10.7270/Q20K26TG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50123058
PNG
(2-(3,5-dichloro-4-(4-hydroxy-3-(piperidin-1-ylsulf...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C20H18Cl2N4O6S/c21-14-8-12(26-20(29)24-18(28)11-23-26)9-15(22)19(14)32-13-4-5-16(27)17(10-13)33(30,31)25-6-2-1-3-7-25/h4-5,8-11,27H,1-3,6-7H2,(H,24,28,29)
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n/an/a 0.0562n/an/an/an/an/an/a



University of Insubria

Curated by ChEMBL


Assay Description
Inhibition of human thyroid hormone receptor beta 1


Bioorg Med Chem 15: 5251-61 (2007)


Article DOI: 10.1016/j.bmc.2007.05.016
BindingDB Entry DOI: 10.7270/Q2PK0HD8
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50178975
PNG
(4,6-dichloro-5-(4-hydroxy-3-isopropylphenoxy)-1H-i...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc3[nH]c(cc3c2Cl)C(O)=O)ccc1O
Show InChI InChI=1S/C18H15Cl2NO4/c1-8(2)10-5-9(3-4-15(10)22)25-17-12(19)7-13-11(16(17)20)6-14(21-13)18(23)24/h3-8,21-22H,1-2H3,(H,23,24)
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n/an/a 0.0600n/an/an/an/an/an/a



Karo Bio AB

Curated by ChEMBL


Assay Description
Inhibition of human TRbeta1 by radioligand binding assay


Bioorg Med Chem Lett 16: 1240-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.077
BindingDB Entry DOI: 10.7270/Q2T72H1W
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50178975
PNG
(4,6-dichloro-5-(4-hydroxy-3-isopropylphenoxy)-1H-i...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc3[nH]c(cc3c2Cl)C(O)=O)ccc1O
Show InChI InChI=1S/C18H15Cl2NO4/c1-8(2)10-5-9(3-4-15(10)22)25-17-12(19)7-13-11(16(17)20)6-14(21-13)18(23)24/h3-8,21-22H,1-2H3,(H,23,24)
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n/an/a 0.0603n/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of thyroid hormone receptor beta


Bioorg Med Chem 15: 4609-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.015
BindingDB Entry DOI: 10.7270/Q2W37XJQ
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM254887
PNG
(US9493472, 10)
Show SMILES COc1cc(cc2nc(N[C@H](CF)c3cccc(Cl)c3)oc12)C(=O)N1CC(C)(CCO)OC[C@H]1C |r|
Show InChI InChI=1S/C25H29ClFN3O5/c1-15-13-34-25(2,7-8-31)14-30(15)23(32)17-10-19-22(21(11-17)33-3)35-24(28-19)29-20(12-27)16-5-4-6-18(26)9-16/h4-6,9-11,15,20,31H,7-8,12-14H2,1-3H3,(H,28,29)/t15-,20-,25?/m1/s1
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n/an/a 0.0900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM18867
PNG
(2-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(CC(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C17H16Br2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)
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n/an/a 0.0950n/a 0.200n/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to r...


J Med Chem 46: 1580-8 (2003)


Article DOI: 10.1021/jm021080f
BindingDB Entry DOI: 10.7270/Q20K26TG
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM18867
PNG
(2-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(CC(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C17H16Br2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)
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n/an/a 0.0950n/a 0.200n/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to r...


Bioorg Med Chem Lett 17: 4131-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.049
BindingDB Entry DOI: 10.7270/Q2VT1QB6
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM18867
PNG
(2-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(CC(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C17H16Br2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)
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n/an/a 0.0955n/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of thyroid hormone receptor beta


Bioorg Med Chem 15: 4609-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.015
BindingDB Entry DOI: 10.7270/Q2W37XJQ
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM18867
PNG
(2-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(CC(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C17H16Br2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)
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University of Insubria

Curated by ChEMBL


Assay Description
Inhibition of human thyroid hormone receptor beta 1


Bioorg Med Chem 15: 5251-61 (2007)


Article DOI: 10.1016/j.bmc.2007.05.016
BindingDB Entry DOI: 10.7270/Q2PK0HD8
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM18867
PNG
(2-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(CC(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C17H16Br2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)
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n/an/a 0.100n/an/an/an/an/an/a



Bristol-Myers Squibb



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


Bioorg Med Chem Lett 14: 3549-53 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.032
BindingDB Entry DOI: 10.7270/Q2736P5M
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM398047
PNG
(US10322118, Entry 5)
Show SMILES NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O
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)
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n/an/a 0.103n/an/an/an/an/an/a



Marquette University

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain fused TRbeta receptor (unknown origin) ligand binding domain expressed in UAS-bla HEK 293T cells assessed...


Eur J Med Chem 157: 791-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.006
BindingDB Entry DOI: 10.7270/Q2K64MS7
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM18863
PNG
((2R)-2-amino-3-{4-[4-hydroxy-3-(propan-2-yl)phenox...)
Show SMILES CC(C)c1cc(Oc2c(I)cc(C[C@@H](N)C(O)=O)cc2I)ccc1O |r|
Show InChI InChI=1S/C18H19I2NO4/c1-9(2)12-8-11(3-4-16(12)22)25-17-13(19)5-10(6-14(17)20)7-15(21)18(23)24/h3-6,8-9,15,22H,7,21H2,1-2H3,(H,23,24)/t15-/m1/s1
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n/an/a 0.110n/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of thyroid hormone receptor beta


Bioorg Med Chem 15: 4609-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.015
BindingDB Entry DOI: 10.7270/Q2W37XJQ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM18863
PNG
((2R)-2-amino-3-{4-[4-hydroxy-3-(propan-2-yl)phenox...)
Show SMILES CC(C)c1cc(Oc2c(I)cc(C[C@@H](N)C(O)=O)cc2I)ccc1O |r|
Show InChI InChI=1S/C18H19I2NO4/c1-9(2)12-8-11(3-4-16(12)22)25-17-13(19)5-10(6-14(17)20)7-15(21)18(23)24/h3-6,8-9,15,22H,7,21H2,1-2H3,(H,23,24)/t15-/m1/s1
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n/an/a 0.110n/an/an/an/an/an/a



University of Insubria

Curated by ChEMBL


Assay Description
Inhibition of human thyroid hormone receptor beta 1


Bioorg Med Chem 15: 5251-61 (2007)


Article DOI: 10.1016/j.bmc.2007.05.016
BindingDB Entry DOI: 10.7270/Q2PK0HD8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM18863
PNG
((2R)-2-amino-3-{4-[4-hydroxy-3-(propan-2-yl)phenox...)
Show SMILES CC(C)c1cc(Oc2c(I)cc(C[C@@H](N)C(O)=O)cc2I)ccc1O |r|
Show InChI InChI=1S/C18H19I2NO4/c1-9(2)12-8-11(3-4-16(12)22)25-17-13(19)5-10(6-14(17)20)7-15(21)18(23)24/h3-6,8-9,15,22H,7,21H2,1-2H3,(H,23,24)/t15-/m1/s1
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n/an/a 0.110n/an/an/an/a7.04



Karo Bio AB



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


J Med Chem 46: 1580-8 (2003)


Article DOI: 10.1021/jm021080f
BindingDB Entry DOI: 10.7270/Q20K26TG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50123044
PNG
(5-(2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-tri...)
Show SMILES CC1(C)C2CC1C(CC2)NC(=O)c1cc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)ccc1O |THB:9:6:1:4|
Show InChI InChI=1S/C25H24Cl2N4O5/c1-25(2)12-3-5-19(16(25)7-12)29-23(34)15-10-14(4-6-20(15)32)36-22-17(26)8-13(9-18(22)27)31-24(35)30-21(33)11-28-31/h4,6,8-12,16,19,32H,3,5,7H2,1-2H3,(H,29,34)(H,30,33,35)
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n/an/a 0.112n/an/an/an/an/an/a



University of Insubria

Curated by ChEMBL


Assay Description
Inhibition of human thyroid hormone receptor beta 1


Bioorg Med Chem 15: 5251-61 (2007)


Article DOI: 10.1016/j.bmc.2007.05.016
BindingDB Entry DOI: 10.7270/Q2PK0HD8
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50123044
PNG
(5-(2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-tri...)
Show SMILES CC1(C)C2CC1C(CC2)NC(=O)c1cc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)ccc1O |THB:9:6:1:4|
Show InChI InChI=1S/C25H24Cl2N4O5/c1-25(2)12-3-5-19(16(25)7-12)29-23(34)15-10-14(4-6-20(15)32)36-22-17(26)8-13(9-18(22)27)31-24(35)30-21(33)11-28-31/h4,6,8-12,16,19,32H,3,5,7H2,1-2H3,(H,29,34)(H,30,33,35)
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n/an/a 0.112n/an/an/an/an/an/a



University of Insubria

Curated by ChEMBL


Assay Description
Inhibition of human thyroid hormone receptor beta 1


Bioorg Med Chem 15: 5251-61 (2007)


Article DOI: 10.1016/j.bmc.2007.05.016
BindingDB Entry DOI: 10.7270/Q2PK0HD8
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM18870
PNG
(3-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CCC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C18H18Cl2O4/c1-10(2)13-9-12(4-5-16(13)21)24-18-14(19)7-11(8-15(18)20)3-6-17(22)23/h4-5,7-10,21H,3,6H2,1-2H3,(H,22,23)
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n/an/a 0.150n/a 0.280n/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to r...


J Med Chem 46: 1580-8 (2003)


Article DOI: 10.1021/jm021080f
BindingDB Entry DOI: 10.7270/Q20K26TG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM18870
PNG
(3-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CCC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C18H18Cl2O4/c1-10(2)13-9-12(4-5-16(13)21)24-18-14(19)7-11(8-15(18)20)3-6-17(22)23/h4-5,7-10,21H,3,6H2,1-2H3,(H,22,23)
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n/an/a 0.151n/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of thyroid hormone receptor beta


Bioorg Med Chem 15: 4609-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.015
BindingDB Entry DOI: 10.7270/Q2W37XJQ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM18870
PNG
(3-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CCC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C18H18Cl2O4/c1-10(2)13-9-12(4-5-16(13)21)24-18-14(19)7-11(8-15(18)20)3-6-17(22)23/h4-5,7-10,21H,3,6H2,1-2H3,(H,22,23)
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n/an/a 0.151n/an/an/an/an/an/a



University of Insubria

Curated by ChEMBL


Assay Description
Inhibition of human thyroid hormone receptor beta 1


Bioorg Med Chem 15: 5251-61 (2007)


Article DOI: 10.1016/j.bmc.2007.05.016
BindingDB Entry DOI: 10.7270/Q2PK0HD8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50123045
PNG
(CHEMBL413699 | N-Cyclohexyl-5-[2,6-dichloro-4-(3,5...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H20Cl2N4O5/c23-16-8-13(28-22(32)27-19(30)11-25-28)9-17(24)20(16)33-14-6-7-18(29)15(10-14)21(31)26-12-4-2-1-3-5-12/h6-12,29H,1-5H2,(H,26,31)(H,27,30,32)
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n/an/a 0.195n/an/an/an/an/an/a



University of Insubria

Curated by ChEMBL


Assay Description
Inhibition of human thyroid hormone receptor beta 1


Bioorg Med Chem 15: 5251-61 (2007)


Article DOI: 10.1016/j.bmc.2007.05.016
BindingDB Entry DOI: 10.7270/Q2PK0HD8
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM18913
PNG
(2-{3,5-dichloro-4-[3-(3-ethylphenyl)-4-hydroxyphen...)
Show SMILES CCc1cccc(c1)-c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C22H18Cl2O4/c1-2-13-4-3-5-15(8-13)17-12-16(6-7-20(17)25)28-22-18(23)9-14(10-19(22)24)11-21(26)27/h3-10,12,25H,2,11H2,1H3,(H,26,27)
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n/an/a 0.200n/an/an/an/a7.04



Karo Bio AB



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


Bioorg Med Chem Lett 16: 884-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.002
BindingDB Entry DOI: 10.7270/Q2BV7DWM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM18913
PNG
(2-{3,5-dichloro-4-[3-(3-ethylphenyl)-4-hydroxyphen...)
Show SMILES CCc1cccc(c1)-c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C22H18Cl2O4/c1-2-13-4-3-5-15(8-13)17-12-16(6-7-20(17)25)28-22-18(23)9-14(10-19(22)24)11-21(26)27/h3-10,12,25H,2,11H2,1H3,(H,26,27)
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n/an/a 0.200n/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of thyroid hormone receptor beta


Bioorg Med Chem 15: 4609-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.015
BindingDB Entry DOI: 10.7270/Q2W37XJQ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM18913
PNG
(2-{3,5-dichloro-4-[3-(3-ethylphenyl)-4-hydroxyphen...)
Show SMILES CCc1cccc(c1)-c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C22H18Cl2O4/c1-2-13-4-3-5-15(8-13)17-12-16(6-7-20(17)25)28-22-18(23)9-14(10-19(22)24)11-21(26)27/h3-10,12,25H,2,11H2,1H3,(H,26,27)
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n/an/a 0.200n/an/an/an/an/an/a



Bristol-Myers Squibb



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


Bioorg Med Chem Lett 14: 3549-53 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.032
BindingDB Entry DOI: 10.7270/Q2736P5M
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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n/an/a 0.257n/an/an/an/an/an/a



University of Insubria

Curated by ChEMBL


Assay Description
Inhibition of human thyroid hormone receptor beta 1


Bioorg Med Chem 15: 5251-61 (2007)


Article DOI: 10.1016/j.bmc.2007.05.016
BindingDB Entry DOI: 10.7270/Q2PK0HD8
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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n/an/a 0.260n/an/an/an/a7.04



Karo Bio AB



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


J Med Chem 46: 1580-8 (2003)


Article DOI: 10.1021/jm021080f
BindingDB Entry DOI: 10.7270/Q20K26TG
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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n/an/a 0.260n/an/an/an/a7.04



Karo Bio AB



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


Bioorg Med Chem Lett 16: 884-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.002
BindingDB Entry DOI: 10.7270/Q2BV7DWM
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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n/an/a 0.260n/an/an/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to r...


Bioorg Med Chem Lett 17: 4131-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.049
BindingDB Entry DOI: 10.7270/Q2VT1QB6
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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Bristol-Myers Squibb



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


Bioorg Med Chem Lett 14: 3549-53 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.032
BindingDB Entry DOI: 10.7270/Q2736P5M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50178971
PNG
((R)-2-Amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-di...)
Show SMILES N[C@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O
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-/m1/s1
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n/an/a 0.260n/an/an/an/an/an/a



Karo Bio AB

Curated by ChEMBL


Assay Description
Inhibition of human TRbeta1 by radioligand binding assay


Bioorg Med Chem Lett 16: 1240-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.077
BindingDB Entry DOI: 10.7270/Q2T72H1W
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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n/an/a 0.260n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against cloned human thyroid hormone receptor beta 1


Bioorg Med Chem Lett 15: 4579-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.093
BindingDB Entry DOI: 10.7270/Q2GB23MG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50178971
PNG
((R)-2-Amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-di...)
Show SMILES N[C@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O
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-/m1/s1
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n/an/a 0.263n/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of thyroid hormone receptor beta


Bioorg Med Chem 15: 4609-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.015
BindingDB Entry DOI: 10.7270/Q2W37XJQ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547821
PNG
(CHEMBL4761137)
Show SMILES COc1cc(cc2nc(NCc3cccc(Cl)c3)oc12)C(=O)N1CC(C)C(O)CC1CCO
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n/an/a 0.270n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM18874
PNG
((2S)-2-(1-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl...)
Show SMILES CC(C)[C@H](NC(=O)Cc1cc(Br)c(Oc2ccc(O)c(c2)C(C)C)c(Br)c1)C(O)=O |r|
Show InChI InChI=1S/C22H25Br2NO5/c1-11(2)15-10-14(5-6-18(15)26)30-21-16(23)7-13(8-17(21)24)9-19(27)25-20(12(3)4)22(28)29/h5-8,10-12,20,26H,9H2,1-4H3,(H,25,27)(H,28,29)/t20-/m0/s1
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n/an/a 0.270n/a 0.770n/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to r...


Bioorg Med Chem Lett 17: 4131-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.049
BindingDB Entry DOI: 10.7270/Q2VT1QB6
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50178974
PNG
(4,6-dibromo-5-(4-hydroxy-3-isopropylphenoxy)-1H-in...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc3[nH]c(cc3c2Br)C(O)=O)ccc1O
Show InChI InChI=1S/C18H15Br2NO4/c1-8(2)10-5-9(3-4-15(10)22)25-17-12(19)7-13-11(16(17)20)6-14(21-13)18(23)24/h3-8,21-22H,1-2H3,(H,23,24)
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n/an/a 0.280n/an/an/an/an/an/a



Karo Bio AB

Curated by ChEMBL


Assay Description
Inhibition of human TRbeta1 by radioligand binding assay


Bioorg Med Chem Lett 16: 1240-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.077
BindingDB Entry DOI: 10.7270/Q2T72H1W
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50178974
PNG
(4,6-dibromo-5-(4-hydroxy-3-isopropylphenoxy)-1H-in...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc3[nH]c(cc3c2Br)C(O)=O)ccc1O
Show InChI InChI=1S/C18H15Br2NO4/c1-8(2)10-5-9(3-4-15(10)22)25-17-12(19)7-13-11(16(17)20)6-14(21-13)18(23)24/h3-8,21-22H,1-2H3,(H,23,24)
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n/an/a 0.282n/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of thyroid hormone receptor beta


Bioorg Med Chem 15: 4609-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.015
BindingDB Entry DOI: 10.7270/Q2W37XJQ
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50123054
PNG
(5-(2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-tri...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C21H14Cl2N4O6S/c22-15-8-13(27-21(30)25-19(29)11-24-27)9-16(23)20(15)33-14-6-7-17(28)18(10-14)34(31,32)26-12-4-2-1-3-5-12/h1-11,26,28H,(H,25,29,30)
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n/an/a 0.282n/an/an/an/an/an/a



University of Insubria

Curated by ChEMBL


Assay Description
Inhibition of human thyroid hormone receptor beta 1


Bioorg Med Chem 15: 5251-61 (2007)


Article DOI: 10.1016/j.bmc.2007.05.016
BindingDB Entry DOI: 10.7270/Q2PK0HD8
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM254899
PNG
(US9493472, 21)
Show SMILES COc1cc(cc2nc(N[C@H](CF)c3cccc(Cl)c3)oc12)C(=O)N1CC(C)OCC1C1CC(O)C1 |r,wU:10.9,(-3.32,5.32,;-1.98,4.55,;-1.98,3.01,;-3.32,2.24,;-3.32,.7,;-1.98,-.07,;-.65,.7,;.82,.23,;1.72,1.47,;3.26,1.47,;4.03,.14,;3.26,-1.19,;4.03,-2.53,;5.57,.14,;6.34,1.47,;7.88,1.47,;8.65,.14,;7.88,-1.19,;8.65,-2.53,;6.34,-1.19,;.82,2.72,;-.65,2.24,;-4.65,-.07,;-4.65,-1.61,;-5.98,.7,;-5.98,2.24,;-7.32,3.01,;-7.32,4.55,;-8.65,2.24,;-8.65,.7,;-7.32,-.07,;-7.32,-1.61,;-8.41,-2.69,;-7.32,-3.78,;-7.32,-5.32,;-6.23,-2.69,)|
Show InChI InChI=1S/C26H29ClFN3O5/c1-14-12-31(22(13-35-14)16-7-19(32)8-16)25(33)17-9-20-24(23(10-17)34-2)36-26(29-20)30-21(11-28)15-4-3-5-18(27)6-15/h3-6,9-10,14,16,19,21-22,32H,7-8,11-13H2,1-2H3,(H,29,30)/t14?,16?,19?,21-,22?/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50171808
PNG
(CHEMBL194242 | N-[4-(5-Bromo-6-hydroxy-naphthalen-...)
Show SMILES OC(=O)CC(=O)Nc1cc(Cl)c(c(Cl)c1)-c1cccc2c(Br)c(O)ccc12 |(13.88,-4.76,;13.87,-3.22,;15.2,-2.45,;12.54,-2.46,;12.53,-.92,;13.87,-.14,;11.2,-.15,;9.85,-.92,;9.87,-2.46,;8.52,-3.24,;8.52,-4.78,;7.19,-2.47,;7.19,-.93,;5.86,-.16,;8.52,-.16,;5.86,-3.25,;5.86,-4.78,;4.53,-5.56,;3.2,-4.79,;3.2,-3.25,;1.87,-2.48,;.52,-3.25,;1.87,-.93,;.54,-.17,;3.2,-.16,;4.53,-.93,;4.53,-2.48,)|
Show InChI InChI=1S/C19H12BrCl2NO4/c20-19-12-3-1-2-11(10(12)4-5-15(19)24)18-13(21)6-9(7-14(18)22)23-16(25)8-17(26)27/h1-7,24H,8H2,(H,23,25)(H,26,27)
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n/an/a 0.300n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against cloned human thyroid hormone receptor beta 1


Bioorg Med Chem Lett 15: 4579-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.093
BindingDB Entry DOI: 10.7270/Q2GB23MG
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50171802
PNG
(CHEMBL196642 | N-[3,5-Dichloro-4-(5-isopropyl-6-me...)
Show SMILES COc1ccc2c(cccc2c1C(C)C)-c1c(Cl)cc(NC(=O)CC(O)=O)cc1Cl |(1.71,1.66,;1.71,.12,;3.04,-.65,;4.37,.13,;5.72,-.64,;5.72,-2.19,;7.05,-2.96,;7.05,-4.49,;5.7,-5.27,;4.37,-4.5,;4.37,-2.96,;3.04,-2.19,;1.71,-2.96,;.38,-2.19,;1.71,-4.5,;8.38,-2.18,;9.71,-2.95,;9.71,-4.49,;11.04,-2.18,;11.04,-.64,;12.37,.14,;13.7,-.63,;15.05,.16,;13.72,-2.17,;15.06,-2.92,;15.06,-4.46,;16.39,-2.15,;9.71,.13,;8.38,-.64,;7.05,.13,)|
Show InChI InChI=1S/C23H21Cl2NO4/c1-12(2)22-15-5-4-6-16(14(15)7-8-19(22)30-3)23-17(24)9-13(10-18(23)25)26-20(27)11-21(28)29/h4-10,12H,11H2,1-3H3,(H,26,27)(H,28,29)
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n/an/a 0.300n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against cloned human thyroid hormone receptor beta 1


Bioorg Med Chem Lett 15: 4579-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.093
BindingDB Entry DOI: 10.7270/Q2GB23MG
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50171801
PNG
(CHEMBL198367 | N-[4-(5-Bromo-6-hydroxy-naphthalen-...)
Show SMILES OC(=O)C(=O)Nc1cc(Cl)c(c(Cl)c1)-c1cccc2c(Br)c(O)ccc12 |(11.21,-4.35,;12.54,-3.57,;13.87,-4.32,;12.53,-2.03,;13.87,-1.24,;11.2,-1.26,;9.85,-2.04,;8.52,-1.27,;7.19,-2.04,;5.86,-1.27,;7.19,-3.58,;8.52,-4.35,;8.52,-5.89,;9.87,-3.58,;5.86,-4.36,;5.86,-5.89,;4.53,-6.67,;3.2,-5.9,;3.2,-4.36,;1.87,-3.59,;.52,-4.36,;1.87,-2.05,;.54,-1.28,;3.2,-1.27,;4.53,-2.04,;4.53,-3.59,)|
Show InChI InChI=1S/C18H10BrCl2NO4/c19-16-11-3-1-2-10(9(11)4-5-14(16)23)15-12(20)6-8(7-13(15)21)22-17(24)18(25)26/h1-7,23H,(H,22,24)(H,25,26)
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n/an/a 0.300n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against cloned human thyroid hormone receptor beta 1


Bioorg Med Chem Lett 15: 4579-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.093
BindingDB Entry DOI: 10.7270/Q2GB23MG
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50123064
PNG
(2-(3-chloro-4-(4-hydroxy-3-(piperidin-1-ylsulfonyl...)
Show SMILES Cc1cc(cc(Cl)c1Oc1ccc(O)c(c1)S(=O)(=O)N1CCCCC1)-n1ncc(=O)[nH]c1=O
Show InChI InChI=1S/C21H21ClN4O6S/c1-13-9-14(26-21(29)24-19(28)12-23-26)10-16(22)20(13)32-15-5-6-17(27)18(11-15)33(30,31)25-7-3-2-4-8-25/h5-6,9-12,27H,2-4,7-8H2,1H3,(H,24,28,29)
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n/an/a 0.363n/an/an/an/an/an/a



University of Insubria

Curated by ChEMBL


Assay Description
Inhibition of human thyroid hormone receptor beta 1


Bioorg Med Chem 15: 5251-61 (2007)


Article DOI: 10.1016/j.bmc.2007.05.016
BindingDB Entry DOI: 10.7270/Q2PK0HD8
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547825
PNG
(CHEMBL4749829)
Show SMILES CC[C@@H]1CO[C@@](C)(CCO)CN1C(=O)c1cc(OC)c2oc(N[C@H](C)c3cccc(Cl)c3)nc2c1 |r|
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n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
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