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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) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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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]