Compile Data Set for Download or QSAR
Found 28 Enz. Inhib. hit(s) with all data for entry = 50016664
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM18860((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
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
Affinity DataIC50: 0.240nMAssay Description:Inhibitory concentration against cloned human thyroid hormone receptor alpha 1More data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM18860((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
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
Affinity DataIC50: 0.260nMAssay Description:Inhibitory concentration against cloned human thyroid hormone receptor beta 1More data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50171801(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
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)
Affinity DataIC50: 0.300nMAssay Description:Inhibitory concentration against cloned human thyroid hormone receptor beta 1More data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50171802(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
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)
Affinity DataIC50: 0.300nMAssay Description:Inhibitory concentration against cloned human thyroid hormone receptor beta 1More data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50171808(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
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)
Affinity DataIC50: 0.300nMAssay Description:Inhibitory concentration against cloned human thyroid hormone receptor beta 1More data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM18869(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C17H16Cl2O4/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)
Affinity DataIC50: 1.10nMAssay Description:Inhibitory concentration against cloned human thyroid hormone receptor beta 1More data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50171805(CHEMBL193864 | [4-(5-Bromo-6-hydroxy-naphthalen-1-...)
Show SMILES OC(=O)CNc1cc(Cl)c(c(Cl)c1)-c1cccc2c(Br)c(O)ccc12
Show InChI InChI=1S/C18H12BrCl2NO3/c19-18-12-3-1-2-11(10(12)4-5-15(18)23)17-13(20)6-9(7-14(17)21)22-8-16(24)25/h1-7,22-23H,8H2,(H,24,25)
Affinity DataIC50: 1.80nMAssay Description:Inhibitory concentration against cloned human thyroid hormone receptor beta 1More data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50171803(3-[4-(5-Bromo-6-hydroxy-naphthalen-1-yl)-3,5-dichl...)
Show SMILES OC(=O)CCNc1cc(Cl)c(c(Cl)c1)-c1cccc2c(Br)c(O)ccc12
Show InChI InChI=1S/C19H14BrCl2NO3/c20-19-13-3-1-2-12(11(13)4-5-16(19)24)18-14(21)8-10(9-15(18)22)23-7-6-17(25)26/h1-5,8-9,23-24H,6-7H2,(H,25,26)
Affinity DataIC50: 1.80nMAssay Description:Inhibitory concentration against cloned human thyroid hormone receptor beta 1More data for this Ligand-Target Pair
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50171808(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
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)
Affinity DataIC50: 4.30nMAssay Description:Inhibitory concentration against cloned human thyroid hormone receptor alpha 1More data for this Ligand-Target Pair
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50171801(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
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)
Affinity DataIC50: 5.40nMAssay Description:Inhibitory concentration against cloned human thyroid hormone receptor alpha 1More data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50171799(CHEMBL193615 | [3,5-Dichloro-4-(6-hydroxy-5-methyl...)
Show SMILES Cc1c(O)ccc2c(cccc12)-c1c(Cl)cc(NC(O)=O)cc1Cl
Show InChI InChI=1S/C18H13Cl2NO3/c1-9-11-3-2-4-13(12(11)5-6-16(9)22)17-14(19)7-10(8-15(17)20)21-18(23)24/h2-8,21-22H,1H3,(H,23,24)
Affinity DataIC50: 7.20nMAssay Description:Inhibitory concentration against cloned human thyroid hormone receptor beta 1More data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50171800(CHEMBL371245 | [4-(3-Bromo-4-hydroxy-phenoxy)-3,5-...)
Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(Br)c2)c(Cl)c1
Show InChI InChI=1S/C14H9BrCl2O4/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)
Affinity DataIC50: 9nMAssay Description:Inhibitory concentration against cloned human thyroid hormone receptor beta 1More data for this Ligand-Target Pair
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50171803(3-[4-(5-Bromo-6-hydroxy-naphthalen-1-yl)-3,5-dichl...)
Show SMILES OC(=O)CCNc1cc(Cl)c(c(Cl)c1)-c1cccc2c(Br)c(O)ccc12
Show InChI InChI=1S/C19H14BrCl2NO3/c20-19-13-3-1-2-12(11(13)4-5-16(19)24)18-14(21)8-10(9-15(18)22)23-7-6-17(25)26/h1-5,8-9,23-24H,6-7H2,(H,25,26)
Affinity DataIC50: 13nMAssay Description:Inhibitory concentration against cloned human thyroid hormone receptor alpha 1More data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50171797(CHEMBL195079 | [4-(5-Bromo-6-hydroxy-naphthalen-1-...)
Show SMILES OC(=O)Cc1cc(Cl)c(c(Cl)c1)-c1cccc2c(Br)c(O)ccc12
Show InChI InChI=1S/C18H11BrCl2O3/c19-18-12-3-1-2-11(10(12)4-5-15(18)22)17-13(20)6-9(7-14(17)21)8-16(23)24/h1-7,22H,8H2,(H,23,24)
Affinity DataIC50: 13nMAssay Description:Inhibitory concentration against cloned human thyroid hormone receptor beta 1More data for this Ligand-Target Pair
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50171802(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
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)
Affinity DataIC50: 14nMAssay Description:Inhibitory concentration against cloned human thyroid hormone receptor alpha 1More data for this Ligand-Target Pair
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50171805(CHEMBL193864 | [4-(5-Bromo-6-hydroxy-naphthalen-1-...)
Show SMILES OC(=O)CNc1cc(Cl)c(c(Cl)c1)-c1cccc2c(Br)c(O)ccc12
Show InChI InChI=1S/C18H12BrCl2NO3/c19-18-12-3-1-2-11(10(12)4-5-15(18)23)17-13(20)6-9(7-14(17)21)22-8-16(24)25/h1-7,22-23H,8H2,(H,24,25)
Affinity DataIC50: 19nMAssay Description:Inhibitory concentration against cloned human thyroid hormone receptor alpha 1More data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50171798(CHEMBL372428 | N-[4-(5-Bromo-6-hydroxy-naphthalen-...)
Show SMILES OC(=O)CCC(=O)Nc1cc(Cl)c(c(Cl)c1)-c1cccc2c(Br)c(O)ccc12
Show InChI InChI=1S/C20H14BrCl2NO4/c21-20-13-3-1-2-12(11(13)4-5-16(20)25)19-14(22)8-10(9-15(19)23)24-17(26)6-7-18(27)28/h1-5,8-9,25H,6-7H2,(H,24,26)(H,27,28)
Affinity DataIC50: 22nMAssay Description:Inhibitory concentration against cloned human thyroid hormone receptor beta 1More data for this Ligand-Target Pair
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM18869(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C17H16Cl2O4/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)
Affinity DataIC50: 25nMAssay Description:Inhibitory concentration against cloned human thyroid hormone receptor alpha 1More data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50171806(CHEMBL196613 | [3,5-Dichloro-4-(6-hydroxy-5-phenyl...)
Show SMILES OC(=O)Nc1cc(Cl)c(c(Cl)c1)-c1cccc2c(c(O)ccc12)-c1ccccc1
Show InChI InChI=1S/C23H15Cl2NO3/c24-18-11-14(26-23(28)29)12-19(25)22(18)17-8-4-7-16-15(17)9-10-20(27)21(16)13-5-2-1-3-6-13/h1-12,26-27H,(H,28,29)
Affinity DataIC50: 29nMAssay Description:Inhibitory concentration against cloned human thyroid hormone receptor beta 1More data for this Ligand-Target Pair
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50171799(CHEMBL193615 | [3,5-Dichloro-4-(6-hydroxy-5-methyl...)
Show SMILES Cc1c(O)ccc2c(cccc12)-c1c(Cl)cc(NC(O)=O)cc1Cl
Show InChI InChI=1S/C18H13Cl2NO3/c1-9-11-3-2-4-13(12(11)5-6-16(9)22)17-14(19)7-10(8-15(17)20)21-18(23)24/h2-8,21-22H,1H3,(H,23,24)
Affinity DataIC50: 48nMAssay Description:Inhibitory concentration against cloned human thyroid hormone receptor alpha 1More data for this Ligand-Target Pair
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50171798(CHEMBL372428 | N-[4-(5-Bromo-6-hydroxy-naphthalen-...)
Show SMILES OC(=O)CCC(=O)Nc1cc(Cl)c(c(Cl)c1)-c1cccc2c(Br)c(O)ccc12
Show InChI InChI=1S/C20H14BrCl2NO4/c21-20-13-3-1-2-12(11(13)4-5-16(20)25)19-14(22)8-10(9-15(19)23)24-17(26)6-7-18(27)28/h1-5,8-9,25H,6-7H2,(H,24,26)(H,27,28)
Affinity DataIC50: 62nMAssay Description:Inhibitory concentration against cloned human thyroid hormone receptor alpha 1More data for this Ligand-Target Pair
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50171797(CHEMBL195079 | [4-(5-Bromo-6-hydroxy-naphthalen-1-...)
Show SMILES OC(=O)Cc1cc(Cl)c(c(Cl)c1)-c1cccc2c(Br)c(O)ccc12
Show InChI InChI=1S/C18H11BrCl2O3/c19-18-12-3-1-2-11(10(12)4-5-15(18)22)17-13(20)6-9(7-14(17)21)8-16(23)24/h1-7,22H,8H2,(H,23,24)
Affinity DataIC50: 101nMAssay Description:Inhibitory concentration against cloned human thyroid hormone receptor alpha 1More data for this Ligand-Target Pair
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50171800(CHEMBL371245 | [4-(3-Bromo-4-hydroxy-phenoxy)-3,5-...)
Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(Br)c2)c(Cl)c1
Show InChI InChI=1S/C14H9BrCl2O4/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)
Affinity DataIC50: 109nMAssay Description:Inhibitory concentration against cloned human thyroid hormone receptor alpha 1More data for this Ligand-Target Pair
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50171806(CHEMBL196613 | [3,5-Dichloro-4-(6-hydroxy-5-phenyl...)
Show SMILES OC(=O)Nc1cc(Cl)c(c(Cl)c1)-c1cccc2c(c(O)ccc12)-c1ccccc1
Show InChI InChI=1S/C23H15Cl2NO3/c24-18-11-14(26-23(28)29)12-19(25)22(18)17-8-4-7-16-15(17)9-10-20(27)21(16)13-5-2-1-3-6-13/h1-12,26-27H,(H,28,29)
Affinity DataIC50: 125nMAssay Description:Inhibitory concentration against cloned human thyroid hormone receptor alpha 1More data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50171804(CHEMBL195327 | [3,5-Dichloro-4-(6-hydroxy-naphthal...)
Show SMILES OC(=O)Cc1cc(Cl)c(c(Cl)c1)-c1cccc2cc(O)ccc12
Show InChI InChI=1S/C18H12Cl2O3/c19-15-6-10(8-17(22)23)7-16(20)18(15)14-3-1-2-11-9-12(21)4-5-13(11)14/h1-7,9,21H,8H2,(H,22,23)
Affinity DataIC50: 545nMAssay Description:Inhibitory concentration against cloned human thyroid hormone receptor beta 1More data for this Ligand-Target Pair
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50171804(CHEMBL195327 | [3,5-Dichloro-4-(6-hydroxy-naphthal...)
Show SMILES OC(=O)Cc1cc(Cl)c(c(Cl)c1)-c1cccc2cc(O)ccc12
Show InChI InChI=1S/C18H12Cl2O3/c19-15-6-10(8-17(22)23)7-16(20)18(15)14-3-1-2-11-9-12(21)4-5-13(11)14/h1-7,9,21H,8H2,(H,22,23)
Affinity DataIC50: 1.54E+3nMAssay Description:Inhibitory concentration against cloned human thyroid hormone receptor alpha 1More data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50171807(CHEMBL193851 | [3,5-Dichloro-4-(4-hydroxy-phenoxy)...)
Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)cc2)c(Cl)c1
Show InChI InChI=1S/C14H10Cl2O4/c15-11-5-8(7-13(18)19)6-12(16)14(11)20-10-3-1-9(17)2-4-10/h1-6,17H,7H2,(H,18,19)
Affinity DataIC50: 2.14E+3nMAssay Description:Inhibitory concentration against cloned human thyroid hormone receptor beta 1More data for this Ligand-Target Pair
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50171807(CHEMBL193851 | [3,5-Dichloro-4-(4-hydroxy-phenoxy)...)
Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)cc2)c(Cl)c1
Show InChI InChI=1S/C14H10Cl2O4/c15-11-5-8(7-13(18)19)6-12(16)14(11)20-10-3-1-9(17)2-4-10/h1-6,17H,7H2,(H,18,19)
Affinity DataIC50: 3.61E+3nMAssay Description:Inhibitory concentration against cloned human thyroid hormone receptor alpha 1More data for this Ligand-Target Pair