sobetirome [Ligand Id: 2639] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL107400 (GC-1, QRX-431, Sobetirome)
  • Thyroid hormone receptor-α/Thyroid hormone receptor alpha in Human [ChEMBL: CHEMBL1860] [GtoPdb: 588] [UniProtKB: P10827]
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  • Thyroid hormone receptor-β/Thyroid hormone receptor beta-1 in Human [ChEMBL: CHEMBL1947] [GtoPdb: 589] [UniProtKB: P10828]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Thyroid hormone receptor-α/Thyroid hormone receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1860] [GtoPdb: 588] [UniProtKB: P10827]
ChEMBL Binding affinity to human TRalpha1 B 8.6 pKd 2.5 nM Kd J Med Chem (2012) 55: 5649-5675 [PMID:22512468]
ChEMBL Binding affinity against human Thyroid hormone receptor alpha-1 (hTRalpha1) using radiolabeled T3 B 8.74 pKd 1.8 nM Kd J Med Chem (2002) 45: 3310-3320 [PMID:12109914]
ChEMBL Binding affinity of compound was determined against Thyroid hormone receptor alpha1 B 9.18 pKd 0.66 nM Kd J Med Chem (2003) 46: 3152-3161 [PMID:12825953]
GtoPdb - - 9.36 pKd - - - Mol Endocrinol (1990) 4: 227-34 [PMID:2158622]
ChEMBL Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assay B 8.96 pKi 1.09 nM Ki J Med Chem (2008) 51: 7075-7093 [PMID:18975928]
ChEMBL Half-maximum activation of human Thyroid hormone receptor alpha-1 (hTRalpha1) B 7.35 pEC50 45 nM EC50 J Med Chem (2002) 45: 3310-3320 [PMID:12109914]
ChEMBL Agonist activity at recombinant His6-tagged THR-alpha (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 mins assessed as biotin-GRIP1 peptide recruitment by HTRF assay B 8.52 pEC50 3 nM EC50 J Med Chem (2014) 57: 3912-3923 [PMID:24712661]
Thyroid hormone receptor-β/Thyroid hormone receptor beta-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1947] [GtoPdb: 589] [UniProtKB: P10828]
ChEMBL Binding affinity to human TRbeta1 B 9.7 pKd 0.2 nM Kd J Med Chem (2012) 55: 5649-5675 [PMID:22512468]
ChEMBL Binding affinity against human Thyroid hormone receptor beta 1 (hTRbeta1) using radiolabeled T3 B 10 pKd 0.1 nM Kd J Med Chem (2002) 45: 3310-3320 [PMID:12109914]
ChEMBL Binding affinity of compound was determined against thyroid hormone receptor beta 1 B 10 pKd 0.1 nM Kd J Med Chem (2003) 46: 3152-3161 [PMID:12825953]
GtoPdb - - 10.17 pKd - - - Proc Natl Acad Sci USA (1977) 74: 3365-9 [PMID:269396];
Chem Biol (1998) 5: 299-306 [PMID:9653548]
ChEMBL Displacement of [125I]3,5,3'-triiodo-L-thyronine His-tagged human recombinant TRbeta1 by scintillation proximity assay B 9.49 pKi 0.32 nM Ki J Med Chem (2008) 51: 7075-7093 [PMID:18975928]
ChEMBL Agonist activity at recombinant His6-tagged THR-beta (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 mins assessed as biotin-GRIP1 peptide recruitment by HTRF assay B 7.74 pEC50 18 nM EC50 J Med Chem (2014) 57: 3912-3923 [PMID:24712661]
ChEMBL Half-maximum activation of human Thyroid hormone receptor beta 1 (hTRbeta1) B 8.15 pEC50 7 nM EC50 J Med Chem (2002) 45: 3310-3320 [PMID:12109914]

ChEMBL data shown on this page come from version 33:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]