T4 [Ligand Id: 2635] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1624 (Levothyroxin, Levothyroxine, L-thyroxine, NSC-36397, SK&F 1-6528, Synthetic levothyroxine, Thyroxine, Thyroxine, l-)
  • Farnesoid X receptor/Bile acid receptor in Human [ChEMBL: CHEMBL2047] [GtoPdb: 603] [UniProtKB: Q96RI1]
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  • Malate dehydrogenase, mitochondrial in Human [ChEMBL: CHEMBL5917] [UniProtKB: P40926]
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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/Retinoic acid receptor RXR-alpha in Human [ChEMBL: CHEMBL2061] [GtoPdb: 610] [UniProtKB: P19793]
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  • OATP4C1/Solute carrier organic anion transporter family member 4C1 in Human [ChEMBL: CHEMBL2073690] [GtoPdb: 1227] [UniProtKB: Q6ZQN7]
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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 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
Farnesoid X receptor/Bile acid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2047] [GtoPdb: 603] [UniProtKB: Q96RI1]
ChEMBL Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assay B 5.1 pIC50 7860 nM IC50 Bioorg Med Chem (2013) 21: 4266-4278 [PMID:23688559]
Malate dehydrogenase, mitochondrial in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5917] [UniProtKB: P40926]
ChEMBL Inhibition of MDH2 (unknown origin) B 4.36 pIC50 43600 nM IC50 J Med Chem (2017) 60: 8631-8646 [PMID:28991459]
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 6.4 pKd 400 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 4.92 pEC50 12000 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 4.3 pIC50 >50000 nM IC50 Bioorg Med Chem (2013) 21: 1972-1977 [PMID:23395113]
Retinoid X receptor-α/Retinoic acid receptor RXR-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 6.03 pKd 930 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 4.81 pEC50 15400 nM EC50 J Med Chem (2020) 63: 6727-6740 [PMID:32356658]
OATP4C1/Solute carrier organic anion transporter family member 4C1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2073690] [GtoPdb: 1227] [UniProtKB: Q6ZQN7]
ChEMBL TP_TRANSPORTER: inhibition of Triiodothyronine uptake in OATP4C1-expressing MDCK cells F 5.1 pIC50 8000 nM IC50 Proc Natl Acad Sci U S A (2004) 101: 3569-3574 [PMID:14993604]
Thyroid hormone receptor-α/Thyroid hormone receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1860] [GtoPdb: 588] [UniProtKB: P10827]
ChEMBL Agonist activity at THRalpha (unknown origin) incubated for 14 to 16 hrs by dual glo luciferase reporter gene assay B 7.72 pEC50 19 nM EC50 J Med Chem (2020) 63: 6727-6740 [PMID:32356658]
Thyroid hormone receptor-β/Thyroid hormone receptor beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1947] [GtoPdb: 589] [UniProtKB: P10828]
GtoPdb - - 8.52 pIC50 - - - Mol Endocrinol (1990) 4: 227-34 [PMID:2158622]
ChEMBL Agonist activity at THRbeta (unknown origin) incubated for 14 to 16 hrs by dual glo luciferase reporter gene assay B 6.62 pEC50 240 nM EC50 J Med Chem (2020) 63: 6727-6740 [PMID:32356658]
transthyretin/Transthyretin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3194] [GtoPdb: 2851] [UniProtKB: P02766]
ChEMBL Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay B 4.98 pIC50 10500 nM IC50 Bioorg Med Chem Lett (2009) 19: 5270-5273 [PMID:19651509]
ChEMBL Stabilization of recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as inhibition of amyloid beta formation by measuring turbidity preincubated for 30 mins followed by lowering pH from 7.2 to 4.4 measured after 72 hrs by microplate spectrophotometric method B 5.66 pIC50 2200 nM IC50 Eur J Med Chem (2016) 121: 823-840 [PMID:27020050]
ChEMBL In vitro evaluation of inhibitory activity against WT-TTR: In vitro evaluation of inhibitory activity against WT-TTR amyloid fibril formation of AT09 and reference compounds. Reference compounds (thyroxine, tafamidis and 2OH—PCB80) are represented by dash bars and AT09 compounds by solid-gray bars. All compounds were analyzed at 2×, 1× and 0.5× the molar concentration of wild-type TTR (3.6 μM). Upon assay completion at 72 hours incubation at 37° C., the percentage of amyloid fibril formation was normalized against the positive control (black bar) corresponding to 100% of amyloid formation in the absence of test compounds. B 5.66 pIC50 2200 nM IC50 US-10377729-B2. Bis-furan derivatives as transthyretin (TTR) stabilizers and amyloid inhibitors for the treatment of familial amyloid polyneuropathy (FAP) (2019)
ChEMBL Stabilization of recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as inhibition of amyloid beta formation by measuring turbidity preincubated for 30 mins followed by lowering pH from 7.2 to 4.4 measured after 72 hrs by microplate spectrophotometric method B 5.66 pIC50 2187.76 nM IC50 Eur J Med Chem (2016) 121: 823-840 [PMID:27020050]

ChEMBL data shown on this page come from version 36:

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]