diflunisal [Ligand Id: 7162] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL898 (Diflunisal, Dolobid 500, Dolobid)
  • carbonic anhydrase 1/Carbonic anhydrase I in Human [ChEMBL: CHEMBL261] [GtoPdb: 2597] [UniProtKB: P00915]
  • This target only has 1 pki data point
  • 5.07
1 CHEMBL898_lig_chart_1 Carbonic anhydrase I Human
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  • carbonic anhydrase 2/Carbonic anhydrase II in Human [ChEMBL: CHEMBL205] [GtoPdb: 3092] [UniProtKB: P00918]
  • This target only has 1 pki data point
  • 5.03
2 CHEMBL898_lig_chart_2 Carbonic anhydrase II Human
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  • Organic anion transporter 1/Solute carrier family 22 member 6 in Human [ChEMBL: CHEMBL1641347] [GtoPdb: 1025] [UniProtKB: Q4U2R8]
  • This target only has 0 pki data point
  • 0
3 CHEMBL898_lig_chart_3 Solute carrier family 22 member 6 Human
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  • transthyretin/Transthyretin in Human [ChEMBL: CHEMBL3194] [GtoPdb: 2851] [UniProtKB: P02766]
  • This target only has 0 pki data point
  • 0
4 CHEMBL898_lig_chart_4 Transthyretin Human
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  • dihydrofolate reductase in Human [GtoPdb: 2603] [UniProtKB: P00374]
  • This target only has 1 pki data point
  • 4.47
5 CHEMBL898_lig_chart_5 dihydrofolate reductase Human
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
carbonic anhydrase 1/Carbonic anhydrase I in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL261] [GtoPdb: 2597] [UniProtKB: P00915]
ChEMBL Inhibition of human carbonic anhydrase 1 esterase activity by noncompetitive Lineweaver-Burke plot B 5.07 pKi 8450 nM Ki Bioorg. Med. Chem. (2008) 16: 9101-9105 [PMID:18819808]
ChEMBL Inhibition of human carbonic anhydrase 1 esterase activity by spectrophotometry B 5.47 pIC50 3380 nM IC50 Bioorg. Med. Chem. (2008) 16: 9101-9105 [PMID:18819808]
carbonic anhydrase 2/Carbonic anhydrase II in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL205] [GtoPdb: 3092] [UniProtKB: P00918]
ChEMBL Inhibition of human carbonic anhydrase 2 esterase activity by non-competitive Lineweaver-Burke plot B 5.03 pKi 9370 nM Ki Bioorg. Med. Chem. (2008) 16: 9101-9105 [PMID:18819808]
ChEMBL Inhibition of human carbonic anhydrase 2 esterase activity by spectrophotometry B 5.57 pIC50 2700 nM IC50 Bioorg. Med. Chem. (2008) 16: 9101-9105 [PMID:18819808]
Organic anion transporter 1/Solute carrier family 22 member 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1641347] [GtoPdb: 1025] [UniProtKB: Q4U2R8]
ChEMBL TP_TRANSPORTER: inhibition of Adefovir uptake in OAT1-expressing CHO cells F 6.07 pIC50 850 nM IC50 J. Pharmacol. Exp. Ther. (2000) 295: 10-15 [PMID:10991954]
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 5.57 pKd 2700 nM Kd J Med Chem (2020) 63: 3205-3214 [PMID:32124607]
ChEMBL Binding affinity to TTR (unknown origin) by isothermal titration calorimetric analysis B 6.24 pKd 580 nM Kd J. Med. Chem. (2015) 58: 6507-6515 [PMID:26214366]
ChEMBL Binding affinity to transthyretin (unknown origin) by ITC method B 6.39 pKd 407 nM Kd J Med Chem (2018) 61: 7862-7876 [PMID:30133284]
ChEMBL Binding affinity to TTR in human plasma assessed as protein stabilization preincubated for 1 hr followed by urea-mediated denaturation by Western blot analysis B 4.6 pIC50 25000 nM IC50 J. Med. Chem. (2015) 58: 6507-6515 [PMID:26214366]
ChEMBL Inhibition of ANS binding to TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as BC50 for ANS binding to TTR at 5 uM in presence of 150 mM Na+ by fluorescence-based assay (Rvb = 3 uM) B 4.92 pIC50 12000 nM IC50 J Med Chem (2019) 62: 2076-2082 [PMID:30688456]
ChEMBL Inhibition of ANS binding to TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as BC50 for ANS binding to TTR at 5 uM in presence of 150 mM Na+ by fluorescence-based assay (Rvb = 3 uM) B 4.92 pIC50 12000 nM IC50 J Med Chem (2019) 62: 2076-2082 [PMID:30688456]
ChEMBL Inhibition of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assay B 5.25 pEC50 5600 nM EC50 J. Med. Chem. (2014) 57: 8928-8935 [PMID:25314129]
dihydrofolate reductase in Human [GtoPdb: 2603] [UniProtKB: P00374]
GtoPdb - - 4.47 pKi 34000 nM Ki Journal of Medicinal Chemistry (2020) :

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]