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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 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] |
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 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]