tafamidis [Ligand Id: 8378] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL2103837 (FX-1005, FX1006, FX-1006, Tafamidis, Vyndamax, Vyndaqel)
  • retinol binding protein 4/Plasma retinol-binding protein in Human [ChEMBL: CHEMBL3100] [GtoPdb: 2549] [UniProtKB: P02753]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
retinol binding protein 4/Plasma retinol-binding protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3100] [GtoPdb: 2549] [UniProtKB: P02753]
ChEMBL Displacement of [3H]-all trans retinol from human urine biotinylated RBP4 incubated for 16 hrs measured by Scintillation Proximity Assay B 4.52 pIC50 >30000 nM IC50 J Med Chem (2021) 64: 9010-9041 [PMID:34138572]
transthyretin/Transthyretin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3194] [GtoPdb: 2851] [UniProtKB: P02766]
ChEMBL Stabilization of wild type human transthyretin expressed in Escherichia coli BL21(DE3) Star assessed as dissociation constant for TTR-amyloid beta (12 to 28) complex formation at 200 uM at 25 degC pre-incubated with transthyretin before amyloid beta (12 to 28) addition by ITC assay (Rvb = 3 +/- 0.2 microM) B 5.55 pKd 2800 nM Kd J Med Chem (2020) 63: 3205-3214 [PMID:32124607]
ChEMBL Stabilization of wild type human transthyretin expressed in Escherichia coli BL21(DE3) Star assessed as dissociation constant for TTR-amyloid beta (1 to 42) complex formation at 200 uM at 25 degC pre-incubated with transthyretin before amyloid beta (1 to 42) addition by ITC assay (Rvb = 0.94 +/- 0.04 microM) B 5.98 pKd 1050 nM Kd J Med Chem (2020) 63: 3205-3214 [PMID:32124607]
ChEMBL Competitive binding affinity to human wild type TTR expressed in Escherichia coli BL-21 assessed as equilibrium dissociation constant of second site in presence of ANS by spectrofluorometer B 6.43 pKd 370 nM Kd J Med Chem (2017) 60: 7820-7834 [PMID:28920684]
ChEMBL Binding affinity to wild type TTR (unknown origin) assessed as Kd2 by isothermal titration calorimetry B 6.56 pKd 278 nM Kd J Med Chem (2020) 63: 14228-14242 [PMID:32914975]
ChEMBL Binding affinity to wild type TTR (unknown origin) assessed as equilibrium dissociation constant of second site by isothermal titration calorimetry B 6.56 pKd 278 nM Kd J Med Chem (2017) 60: 7820-7834 [PMID:28920684]
ChEMBL Binding affinity to recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as dissociation constants for second binding site of TTR by isothermal titration calorimetric method B 6.56 pKd 274 nM Kd Eur J Med Chem (2016) 121: 823-840 [PMID:27020050]
ChEMBL Binding affinity to TTR V30M mutant (unknown origin) by isothermal titration calorimetry B 6.7 pKd 200 nM Kd J Med Chem (2021) 64: 14344-14357 [PMID:34547896]
ChEMBL Binding affinity to recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as dissociation constants for first binding site of TTR by isothermal titration calorimetric method B 8.03 pKd 9.3 nM Kd Eur J Med Chem (2016) 121: 823-840 [PMID:27020050]
ChEMBL Binding affinity to transthyretin (unknown origin) by ITC method B 8.36 pKd 4.4 nM Kd J Med Chem (2018) 61: 7862-7876 [PMID:30133284]
ChEMBL Binding affinity to wild type TTR (unknown origin) assessed as Kd1 by isothermal titration calorimetry B 8.52 pKd 3 nM Kd J Med Chem (2020) 63: 14228-14242 [PMID:32914975]
GtoPdb - - 8.7 pKd 2 nM Kd Proc Natl Acad Sci USA (2012) 109: 9629-34 [PMID:22645360]
ChEMBL Inhibition of acid-mediated aggregation of TTR V30M mutant (unknown origin) expressed in Escherichia coli pretreated for 30 mins at pH 7 followed by protein dilution in acetate buffer and further incubated for 96 hrs at pH 4.6 by thioflavin-T fluorescence assay B 5.28 pIC50 5300 nM IC50 Bioorg Med Chem (2021) 44: 116292-116292 [PMID:34225167]
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 5.51 pIC50 3100 nM IC50 Eur J Med Chem (2016) 121: 823-840 [PMID:27020050]
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 5.51 pIC50 3090.3 nM IC50 Eur J Med Chem (2016) 121: 823-840 [PMID:27020050]
ChEMBL Stabilization of TTR V3OM mutant (unknown origin) assessed as acid-mediated protein aggregation inhibition ratio incubated for 1 week by absorbance method B 5.59 pIC50 2600 nM IC50 J Med Chem (2021) 64: 14344-14357 [PMID:34547896]
ChEMBL Inhibition of TTR V30M mutant (unknown origin) assessed as inhibition of acid-mediated amyloidogenesis by measuring fibril formation preincubated with enzyme followed by amyloidogenesis stimulation by adjusting pH to 4.4 measured after 72 hrs relative to control B 5.79 pIC50 1620 nM IC50 Eur J Med Chem (2016) 123: 777-787 [PMID:27541261]
ChEMBL Inhibition of wild type TTR (unknown origin) assessed as inhibition of acid-mediated amyloidogenesis by measuring fibril formation preincubated with enzyme followed by amyloidogenesis stimulation by adjusting pH to 4.4 measured after 72 hrs relative to control B 5.81 pIC50 1550 nM IC50 Eur J Med Chem (2016) 123: 777-787 [PMID:27541261]
ChEMBL Binding affinity to human plasma TTR tetramer assessed as displacement of diclofenac-coupled FITC by fluorescence polarization assay B 6.39 pIC50 410 nM IC50 J Med Chem (2021) 64: 9010-9041 [PMID:34138572]

ChEMBL data shown on this page come from version 32:

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]