tiratricol [Ligand Id: 2637] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL41632 (3,5,3'-triiodothyroacetate, Levothyroxine sodium impurity, triiodothyroacetic acid, or t3-acetic acid-, NSC-759294, T3-acetic acid, Tiracana, Tiratricol, TRIAC, Triiodothyroacetic acid)
  • Androgen receptor/Androgen Receptor in Human [ChEMBL: CHEMBL1871] [GtoPdb: 628] [UniProtKB: P10275]
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  • Sodium/bile acid and sulphated solute cotransporter 1/Bile acid transporter in Human [ChEMBL: CHEMBL5287] [GtoPdb: 959] [UniProtKB: Q14973]
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  • Peroxisome proliferator-activated receptor-γ/Peroxisome proliferator-activated receptor gamma in Human [ChEMBL: CHEMBL235] [GtoPdb: 595] [UniProtKB: P37231]
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  • Retinoid X receptor-α/Retinoid X receptor alpha in Human [ChEMBL: CHEMBL2061] [GtoPdb: 610] [UniProtKB: P19793]
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  • OATP1C1/Solute carrier organic anion transporter family member 1C1 in Mouse [ChEMBL: CHEMBL2073688] [GtoPdb: 1222] [UniProtKB: Q9ERB5]
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  • 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]
  • Thyroid hormone receptor-β/Thyroid hormone receptor beta-1 in Rat [ChEMBL: CHEMBL3917] [GtoPdb: 589] [UniProtKB: P18113]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Androgen receptor/Androgen Receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1871] [GtoPdb: 628] [UniProtKB: P10275]
ChEMBL Transcriptional activity at human androgen receptor BF3 site stably transfected in eGFP-expressing human LNCAP cells after 5 days by fluorometric analysis B 4.46 pIC50 34800 nM IC50 J Med Chem (2011) 54: 8563-8573 [PMID:22047606]
Sodium/bile acid and sulphated solute cotransporter 1/Bile acid transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5287] [GtoPdb: 959] [UniProtKB: Q14973]
ChEMBL Inhibition of preS1-peptide binding to human HA-tagged NTCP in U2OS expresseing NTCP in incubated for 24 hrs using Myrcludex B as substrate by competitive binding assay B 5 pIC50 >10000 nM IC50 J Med Chem (2022) 65: 12546-12561 [PMID:36111355]
ChEMBL Inhibition of HA-tagged human NTCP expressed in human U2OS cells assessed as reduction in [14C]taurocholate uptake preincubated for 10 mins followed by [14C] taurocholate addition and further incubation for 10 mins by scintillation counting method B 5.16 pIC50 6900 nM IC50 Bioorg Med Chem Lett (2019) 29: 126623-126623 [PMID:31439379]
ChEMBL Inhibition of human NTCP mediated TCA uptake in U2OS expresseing HA-tagged NTCP cells preincubated for 10 mins followed by substrate addition and measured after 2 mins using [3H]-taurocholate as substrate by liquid scintillation counter analysis B 5.16 pIC50 6900 nM IC50 J Med Chem (2022) 65: 12546-12561 [PMID:36111355]
Peroxisome proliferator-activated receptor-γ/Peroxisome proliferator-activated receptor gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL235] [GtoPdb: 595] [UniProtKB: P37231]
ChEMBL Binding affinity to recombinant PPARgamma LBD (unknown origin) by isothermal titration calorimetry B 6.7 pKd 200 nM Kd J Med Chem (2020) 63: 6727-6740 [PMID:32356658]
ChEMBL Agonist activity at recombinant human pFA-CMV fused PPARgamma expressed in HEK293T cells transfected with pFR-luciferase plasmid and pRL-SV40 plasmid incubated for 14 to 16 hrs by dual glo luciferase reporter gene assay B 6.43 pEC50 370 nM EC50 J Med Chem (2020) 63: 6727-6740 [PMID:32356658]
Proliferating cell nuclear antigen in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2346488] [UniProtKB: P12004]
ChEMBL Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarization assay B 4.6 pIC50 25000 nM IC50 Bioorg Med Chem (2013) 21: 1972-1977 [PMID:23395113]
Retinoid X receptor-α/Retinoid X receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2061] [GtoPdb: 610] [UniProtKB: P19793]
ChEMBL Binding affinity to RXRalpha LBD (unknown origin) by isothermal titration calorimetry B 5.88 pKd 1320 nM Kd J Med Chem (2020) 63: 6727-6740 [PMID:32356658]
ChEMBL Agonist activity at recombinant human pFA-CMV fused RXRalpha LBD expressed in HEK293T cells transfected with pFR-luciferase plasmid and pRL-SV40 plasmid incubated for 14 to 16 hrs by dual glo luciferase reporter gene assay B 4.92 pEC50 12000 nM EC50 J Med Chem (2020) 63: 6727-6740 [PMID:32356658]
OATP1C1/Solute carrier organic anion transporter family member 1C1 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2073688] [GtoPdb: 1222] [UniProtKB: Q9ERB5]
ChEMBL TP_TRANSPORTER: inhibition of L-T4 uptake in Oatp14-expressing HEK293 cells F 5.67 pKi 2150 nM Ki Endocrinology (2004) 145: 4384-4391 [PMID:15166123]
Thyroid hormone receptor-α/Thyroid hormone receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1860] [GtoPdb: 588] [UniProtKB: P10827]
ChEMBL Inhibition of thyroid hormone receptor alpha B 9.85 pIC50 0.14 nM IC50 Bioorg Med Chem (2007) 15: 4609-4617 [PMID:17467994]
ChEMBL Concentration required to inhibit 50% of I-T3 binding to hTR1 (Thyroid hormone receptor alpha) was determined B 9.85 pIC50 0.14 nM IC50 J Med Chem (2003) 46: 1580-1588 [PMID:12699376]
Thyroid hormone receptor-β/Thyroid hormone receptor beta-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1947] [GtoPdb: 589] [UniProtKB: P10828]
GtoPdb - - 10.7 pKd - - - Mol Endocrinol (1990) 4: 227-34 [PMID:2158622]
ChEMBL Concentration required to inhibit 50% of I-T3 binding to hTR1 (Thyroid hormone receptor beta) was determined B 10.32 pIC50 0.05 nM IC50 J Med Chem (2003) 46: 1580-1588 [PMID:12699376]
ChEMBL Inhibition of human thyroid hormone receptor beta 1 B 10.32 pIC50 0.05 nM IC50 Bioorg Med Chem (2007) 15: 5251-5261 [PMID:17524652]
ChEMBL Inhibition of thyroid hormone receptor beta B 10.39 pIC50 0.04 nM IC50 Bioorg Med Chem (2007) 15: 4609-4617 [PMID:17467994]
Thyroid hormone receptor-β/Thyroid hormone receptor beta-1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3917] [GtoPdb: 589] [UniProtKB: P18113]
ChEMBL In vitro inhibition of bound [125I]L-T3 rat plasma membrane 3,5,3'' L-triiodothyronine receptor B 5.3 pIC50 >5000 nM IC50 J Med Chem (1995) 38: 695-707 [PMID:7861417]
ChEMBL In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor B 9.82 pIC50 0.15 nM IC50 J Med Chem (1995) 38: 695-707 [PMID:7861417]

ChEMBL data shown on this page come from version 34:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
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]