Compile Data Set for Download or QSAR

Found 230 hits of ec50 data for polymerid = 1949,1951,1953   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18870 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.760	n/a	0.300	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to ...				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 alpha (Homo sapiens (Human))	BDBM18867 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.40	n/a	0.380	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to ...				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 alpha (Homo sapiens (Human))	BDBM18867 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.40	n/a	0.380	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to ...				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 alpha (Homo sapiens (Human))	BDBM18860 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	0.410	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Agonist activity at human thyroid hormone receptor alpha expressed in HEK293 cells by luciferase reporter gene assay				Bioorg Med Chem Lett 24: 5265-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.053 BindingDB Entry DOI: 10.7270/Q2S46TKZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18904 (2-[3,5-dibromo-4-(cyclohexylmethoxy)phenyl]acetic ...) Show SMILES OC(=O)Cc1cc(Br)c(OCC2CCCCC2)c(Br)c1 Show InChI InChI=1S/C15H18Br2O3/c16-12-6-11(8-14(18)19)7-13(17)15(12)20-9-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	0.420	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IIC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to...				J Med Chem 48: 3114-7 (2005) Article DOI: 10.1021/jm050004k BindingDB Entry DOI: 10.7270/Q2M906XW
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18860 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at human THRalpha expressed in baculovirus infected SF9 cells after 15 mins by gel electrophoresis				J Med Chem 63: 6727-6740 (2020) Article DOI: 10.1021/acs.jmedchem.9b02150 BindingDB Entry DOI: 10.7270/Q23N26ZW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18887 (3,5-Dibromo-4-alkoxyphenylalkanoic Acid, 9k | 3-[3...) Show SMILES OC(=O)CCc1cc(Br)c(OCC2CCCCC2)c(Br)c1 Show InChI InChI=1S/C16H20Br2O3/c17-13-8-12(6-7-15(19)20)9-14(18)16(13)21-10-11-4-2-1-3-5-11/h8-9,11H,1-7,10H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	460	n/a	0.530	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IIC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to...				J Med Chem 48: 3114-7 (2005) Article DOI: 10.1021/jm050004k BindingDB Entry DOI: 10.7270/Q2M906XW
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18906 (3,5-Dibromo-4-alkoxyphenylalkanoic Acid, 9i | 3-[3...) Show SMILES CCCCCCOc1c(Br)cc(CCC(O)=O)cc1Br Show InChI InChI=1S/C15H20Br2O3/c1-2-3-4-5-8-20-15-12(16)9-11(10-13(15)17)6-7-14(18)19/h9-10H,2-8H2,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	0.600	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IIC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to...				J Med Chem 48: 3114-7 (2005) Article DOI: 10.1021/jm050004k BindingDB Entry DOI: 10.7270/Q2M906XW
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18860 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB	n/a	n/a	n/a	n/a	0.700	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18902 (2-[3,5-dibromo-4-(hexyloxy)phenyl]acetic acid | 3,...) Show SMILES CCCCCCOc1c(Br)cc(CC(O)=O)cc1Br Show InChI InChI=1S/C14H18Br2O3/c1-2-3-4-5-6-19-14-11(15)7-10(8-12(14)16)9-13(17)18/h7-8H,2-6,9H2,1H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	0.700	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IIC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to...				J Med Chem 48: 3114-7 (2005) Article DOI: 10.1021/jm050004k BindingDB Entry DOI: 10.7270/Q2M906XW
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18903 (2-[3,5-dibromo-4-(2-ethylbutoxy)phenyl]acetic acid...) Show SMILES CCC(CC)COc1c(Br)cc(CC(O)=O)cc1Br Show InChI InChI=1S/C14H18Br2O3/c1-3-9(4-2)8-19-14-11(15)5-10(6-12(14)16)7-13(17)18/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	0.820	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IIC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to...				J Med Chem 48: 3114-7 (2005) Article DOI: 10.1021/jm050004k BindingDB Entry DOI: 10.7270/Q2M906XW
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18860 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB US Patent	n/a	n/a	n/a	n/a	1.01	n/a	n/a	n/a	n/a
OREGON HEALTH & SCIENCE UNIVERSITY US Patent					Assay Description Human epithelial kidney cells (HEK 293) were grown to 80% confluency in Dubelcco's modified Eagles 4.5 g/L glucose medium (high glucose DMEM) con...				US Patent US10544075 (2020) BindingDB Entry DOI: 10.7270/Q2NP26SZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50178971 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
Karo Bio AB Curated by ChEMBL					Assay Description Efficacy against TRAF-alpha-1 reporter cells				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 alpha (Homo sapiens (Human))	BDBM18874 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	1.40	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to ...				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 alpha (Homo sapiens (Human))	BDBM18877 ((2R)-2-(1-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl...) Show SMILES CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@@H](C(O)=O)c3ccccc3)cc2Br)ccc1O |r| Show InChI InChI=1S/C25H23Br2NO5/c1-14(2)18-13-17(8-9-21(18)29)33-24-19(26)10-15(11-20(24)27)12-22(30)28-23(25(31)32)16-6-4-3-5-7-16/h3-11,13-14,23,29H,12H2,1-2H3,(H,28,30)(H,31,32)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	1.5	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to ...				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 alpha (Homo sapiens (Human))	BDBM18869 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	25	n/a	1.70	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to ...				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 Structure (crystal)
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18860 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/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 Structure (crystal)
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18860 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Effective concentration of the compound binding towards TRalpha in E25B2 cells (agonistic activity)				Bioorg Med Chem Lett 13: 379-82 (2003) BindingDB Entry DOI: 10.7270/Q26T0KZB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18860 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	2.10	n/a	n/a	n/a	n/a
Sanwa Kagaku Kenkyusho Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human recombinant TRalpha1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay				Bioorg Med Chem 22: 488-98 (2013) Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18875 ((2R)-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-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80	n/a	2.30	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to ...				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 alpha (Homo sapiens (Human))	BDBM18860 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	2.40	n/a	n/a	n/a	n/a
University of California-San Francisco					Assay Description TRE-driven dual-luciferase reporter assay in human uterine cervical cancer (Hela) cell line				ACS Chem Biol 1: 585-93 (2006) Article DOI: 10.1021/cb600311v BindingDB Entry DOI: 10.7270/Q23N21R4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18860 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	2.40	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Effect on human TRalpha transactivation activity in U2OS cells by luciferase reporter assay				Bioorg Med Chem 16: 762-70 (2008) Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18860 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	2.40	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Effect on human TRalpha transactivation activity in HeLa cells by luciferase reporter assay				Bioorg Med Chem 16: 762-70 (2008) Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18860 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	2.40	n/a	n/a	n/a	n/a
University of California-San Francisco					Assay Description TRE-driven dual-luciferase reporter assay in human bone osteosarcoma epithelial (U2OS) cell line.				ACS Chem Biol 1: 585-93 (2006) Article DOI: 10.1021/cb600311v BindingDB Entry DOI: 10.7270/Q23N21R4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50115668 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-alpha (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 ...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18860 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	3.40	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at human THRalpha expressed in CHO cells after 24 hrs by luciferase assay				J Med Chem 63: 6727-6740 (2020) Article DOI: 10.1021/acs.jmedchem.9b02150 BindingDB Entry DOI: 10.7270/Q23N26ZW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50178972 (4,6-dibromo-5-(4-hydroxy-3-isopropylphenoxy)-2,3-d...) Show SMILES CC(C)c1cc(Oc2c(Br)cc3CC(Cc3c2Br)C(O)=O)ccc1O Show InChI InChI=1S/C19H18Br2O4/c1-9(2)13-8-12(3-4-16(13)22)25-18-15(20)7-10-5-11(19(23)24)6-14(10)17(18)21/h3-4,7-9,11,22H,5-6H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.10	n/a	n/a	n/a	n/a
Karo Bio AB Curated by ChEMBL					Assay Description Efficacy against TRAF-alpha-1 reporter cells				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 alpha (Homo sapiens (Human))	BDBM18869 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	4.5	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at human thyroid hormone receptor alpha expressed in CV1 cells by TRE-luciferase assay				Bioorg Med Chem Lett 18: 3919-24 (2008) Article DOI: 10.1016/j.bmcl.2008.06.038 BindingDB Entry DOI: 10.7270/Q2CZ36ZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50605643 (CHEMBL5172845) Show SMILES CCOc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3ccccc3)cc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.80	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00144 BindingDB Entry DOI: 10.7270/Q2ZS31MV
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18869 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-alpha (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 ...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18872 ((2S)-2-(1-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl...) Show SMILES CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@@H](C)C(O)=O)cc2Br)ccc1O |r| Show InChI InChI=1S/C20H21Br2NO5/c1-10(2)14-9-13(4-5-17(14)24)28-19-15(21)6-12(7-16(19)22)8-18(25)23-11(3)20(26)27/h4-7,9-11,24H,8H2,1-3H3,(H,23,25)(H,26,27)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	7.20	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to ...				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 alpha (Homo sapiens (Human))	BDBM426635 (US10544075, Compound JD-21) Show SMILES CC(C)c1cc(Cc2c(Cl)cc(OCC(O)=O)cc2Cl)ccc1O Show InChI InChI=1S/C18H18Cl2O4/c1-10(2)13-5-11(3-4-17(13)21)6-14-15(19)7-12(8-16(14)20)24-9-18(22)23/h3-5,7-8,10,21H,6,9H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7.82	n/a	n/a	n/a	n/a
OREGON HEALTH & SCIENCE UNIVERSITY US Patent					Assay Description Human epithelial kidney cells (HEK 293) were grown to 80% confluency in Dubelcco's modified Eagles 4.5 g/L glucose medium (high glucose DMEM) con...				US Patent US10544075 (2020) BindingDB Entry DOI: 10.7270/Q2NP26SZ
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM426634 (US10544075, Compound JD-20) Show SMILES CC(C)c1cc(Cc2c(Br)cc(OCC(O)=O)cc2Br)ccc1O Show InChI InChI=1S/C18H18Br2O4/c1-10(2)13-5-11(3-4-17(13)21)6-14-15(19)7-12(8-16(14)20)24-9-18(22)23/h3-5,7-8,10,21H,6,9H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7.96	n/a	n/a	n/a	n/a
OREGON HEALTH & SCIENCE UNIVERSITY US Patent					Assay Description Human epithelial kidney cells (HEK 293) were grown to 80% confluency in Dubelcco's modified Eagles 4.5 g/L glucose medium (high glucose DMEM) con...				US Patent US10544075 (2020) BindingDB Entry DOI: 10.7270/Q2NP26SZ
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50375350 (CHEMBL263631) Show SMILES CC(C)c1cc(Oc2c(Br)cc(Cc3[nH]c(=O)[nH]c3O)cc2Br)ccc1O Show InChI InChI=1S/C19H18Br2N2O4/c1-9(2)12-8-11(3-4-16(12)24)27-17-13(20)5-10(6-14(17)21)7-15-18(25)23-19(26)22-15/h3-6,8-9,24-25H,7H2,1-2H3,(H2,22,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	8.40	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Effect on human TRalpha transactivation activity in HeLa cells by luciferase reporter assay				Bioorg Med Chem 16: 762-70 (2008) Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50605642 (CHEMBL5172205) Show SMILES COc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3ccccc3)cc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00144 BindingDB Entry DOI: 10.7270/Q2ZS31MV
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18860 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-alpha (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 ...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50178974 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Karo Bio AB Curated by ChEMBL					Assay Description Efficacy against TRAF-alpha-1 reporter cells				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 alpha (Homo sapiens (Human))	BDBM50178975 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Karo Bio AB Curated by ChEMBL					Assay Description Efficacy against TRAF-alpha-1 reporter cells				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 alpha (Homo sapiens (Human))	BDBM50375345 (CHEMBL264153) Show SMILES CCc1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O Show InChI InChI=1S/C18H16I2N2O4/c1-2-10-8-11(3-4-15(10)23)26-16-12(19)5-9(6-13(16)20)7-14-17(24)22-18(25)21-14/h3-6,8,23-24H,2,7H2,1H3,(H2,21,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Effect on human TRalpha transactivation activity in HeLa cells by luciferase reporter assay				Bioorg Med Chem 16: 762-70 (2008) Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18869 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	25	n/a	11	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to ...				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 Structure (crystal)
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM36487 (CHEMBL263630 | CO23) Show SMILES CC(C)c1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O Show InChI InChI=1S/C19H18I2N2O4/c1-9(2)12-8-11(3-4-16(12)24)27-17-13(20)5-10(6-14(17)21)7-15-18(25)23-19(26)22-15/h3-6,8-9,24-25H,7H2,1-2H3,(H2,22,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Effect on human TRalpha transactivation activity in HeLa cells by luciferase reporter assay				Bioorg Med Chem 16: 762-70 (2008) Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM36487 (CHEMBL263630 | CO23) Show SMILES CC(C)c1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O Show InChI InChI=1S/C19H18I2N2O4/c1-9(2)12-8-11(3-4-16(12)24)27-17-13(20)5-10(6-14(17)21)7-15-18(25)23-19(26)22-15/h3-6,8-9,24-25H,7H2,1-2H3,(H2,22,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
University of California-San Francisco					Assay Description TRE-driven dual-luciferase reporter assay in human uterine cervical cancer (Hela) cell line				ACS Chem Biol 1: 585-93 (2006) Article DOI: 10.1021/cb600311v BindingDB Entry DOI: 10.7270/Q23N21R4
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50123044 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Effective concentration of the compound binding towards TRalpha in E25B2 cells (agonistic activity)				Bioorg Med Chem Lett 13: 379-82 (2003) BindingDB Entry DOI: 10.7270/Q26T0KZB
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	US20240059676, Compound ZB-H-54 Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50605644 (CHEMBL5209093) Show SMILES OC(=O)CNC(=O)c1nc(Br)c2cc(Oc3ccccc3)ccc2c1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00144 BindingDB Entry DOI: 10.7270/Q2ZS31MV
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18873 ((2R)-2-(1-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl...) Show SMILES CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@H](C)C(O)=O)cc2Br)ccc1O |r| Show InChI InChI=1S/C20H21Br2NO5/c1-10(2)14-9-13(4-5-17(14)24)28-19-15(21)6-12(7-16(19)22)8-18(25)23-11(3)20(26)27/h4-7,9-11,24H,8H2,1-3H3,(H,23,25)(H,26,27)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	15	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to ...				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 alpha (Homo sapiens (Human))	BDBM50605657 (CHEMBL5180999) Show SMILES COc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3ccc(CCc4ccccc4)cc3)cc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00144 BindingDB Entry DOI: 10.7270/Q2ZS31MV
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18880 ((2S)-2-(1-{3,5-dibromo-4-[3-fluoro-4-hydroxy-5-(pr...) Show SMILES CC(C)[C@H](NC(=O)Cc1cc(Br)c(Oc2cc(F)c(O)c(c2)C(C)C)c(Br)c1)C(O)=O |r| Show InChI InChI=1S/C22H24Br2FNO5/c1-10(2)14-8-13(9-17(25)20(14)28)31-21-15(23)5-12(6-16(21)24)7-18(27)26-19(11(3)4)22(29)30/h5-6,8-11,19,28H,7H2,1-4H3,(H,26,27)(H,29,30)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	17	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to ...				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 alpha (Homo sapiens (Human))	BDBM50401075 (CHEMBL2203702) Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)C(=O)NCC(c2ccccc2)c2ccccc2)c(Cl)c1 Show InChI InChI=1S/C29H23Cl2NO5/c30-24-13-18(15-27(34)35)14-25(31)28(24)37-21-11-12-26(33)22(16-21)29(36)32-17-23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,16,23,33H,15,17H2,(H,32,36)(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Binding affinity to TRalpha1				J Med Chem 55: 5649-75 (2012) Article DOI: 10.1021/jm2004706 BindingDB Entry DOI: 10.7270/Q2DZ09FJ
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50605658 (CHEMBL5188839) Show SMILES COc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3c(C)cc(Cc4ccccc4)cc3C)cc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00144 BindingDB Entry DOI: 10.7270/Q2ZS31MV
					More data for this Ligand-Target Pair

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