febuxostat [Ligand Id: 6817] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL1164729 (Adenuric, Febuxostat, NSC-758874, TMX-67, Uloric) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Flavin reductase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5019] [UniProtKB: P30043] | ||||||||
| ChEMBL | Binding affinity to human N-terminal His6-tagged and thrombin cleavage fused BLVRB expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by isothermal titration calorimetry | B | 5.79 | pKd | 1630 | nM | Kd | J Med Chem (2022) 65: 2548-2557 [PMID:34957824] |
| ChEMBL | Binding affinity to human N-terminal His6-tagged and thrombin cleavage fused BLVRB expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by isothermal titration calorimetry | B | 5.79 | pKd | 1621.81 | nM | Kd | J Med Chem (2022) 65: 2548-2557 [PMID:34957824] |
| xanthine dehydrogenase/Xanthine dehydrogenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1929] [GtoPdb: 2646] [UniProtKB: P47989] | ||||||||
| ChEMBL | Inhibition of xanthine dehydrogenase (unknown origin) | B | 8.51 | pKi | 3.1 | nM | Ki | Eur J Med Chem (2019) 166: 186-196 [PMID:30769179] |
| ChEMBL | Inhibition of xanthine oxidase (unknown origin) | B | 9.22 | pKi | 0.6 | nM | Ki | Eur J Med Chem (2019) 166: 186-196 [PMID:30769179] |
| ChEMBL | Non-competitive inhibition of human xanthine oxidase | B | 10 | pKi | 0.1 | nM | Ki | Eur J Med Chem (2017) 135: 491-516 [PMID:28478180] |
| ChEMBL | Inhibition of xanthine oxidase using xanthine as substrate at 30 mins by spectrophotometric analysis | B | 7.52 | pIC50 | 30 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 7543-7546 [PMID:23122864] |
| ChEMBL | Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 5 mins followed by substrate addition measured for 20 mins by spectrophotometric method | B | 7.89 | pIC50 | 13 | nM | IC50 | Eur J Med Chem (2018) 155: 590-595 [PMID:29920453] |
| ChEMBL | Inhibition of C-terminally FLAG-tagged human xanthine oxidase (amino acid 1 to 1333) expressed in baculovirus system after 15 mins by spectrophotometry | B | 8.9 | pIC50 | 1.26 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 1315-1321 [PMID:24508129] |
| GtoPdb | Inhibition of baculovirus expressed C-terminally FLAG-tagged human xanthine oxidase (aa 1-1333). | - | 8.9 | pIC50 | 1.26 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 1315-21 [PMID:24508129] |
| Xanthine dehydrogenase in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3649] [UniProtKB: P80457] | ||||||||
| ChEMBL | Mixed-type inhibition of bovine xanthine oxidase assessed as enzyme-inhibitor complex | B | 9.05 | pKi | 0.9 | nM | Ki | J Nat Prod (2014) 77: 1693-1699 [PMID:25060641] |
| ChEMBL | Mixed-type inhibition of bovine xanthine oxidase | B | 9.92 | pKi | 0.12 | nM | Ki | J Nat Prod (2014) 77: 1693-1699 [PMID:25060641] |
| ChEMBL | Inhibition of bovine milk xanthine oxidase using xanthine as substrate preincubated for 5 mins followed by substrate addition by UV-visible spectrophotometry | B | 7.52 | pIC50 | 30 | nM | IC50 | Medchemcomm (2019) 10: 128-147 [PMID:30931089] |
| ChEMBL | Inhibition of bovine milk xanthine oxidase using xanthine as substrate assessed as decrease in uric acid formation preincubated for 5 mins | B | 7.6 | pIC50 | 25 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 495-500 [PMID:24388807] |
| ChEMBL | Inhibition of bovine milk xanthine oxidase using xanthine as substrate incubated for 15 mins followed by substrate addition and measured at 30 sec interval for 2 mins by spectrophotometrically | B | 7.63 | pIC50 | 23.6 | nM | IC50 | Eur J Med Chem (2019) 181: 111559-111559 [PMID:31376568] |
| ChEMBL | Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated with enzyme for 15 mins followed by substrate addition and measured every 30 secs for 2 mins by spectrophotometric method | B | 7.63 | pIC50 | 23.6 | nM | IC50 | Eur J Med Chem (2019) 181: 111558-111558 [PMID:31369933] |
| ChEMBL | Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis | B | 7.7 | pIC50 | 20 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 834-838 [PMID:23265878] |
| ChEMBL | Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 15 mins followed by substrate addition measured at 30 sec interval for upto 2 mins by spectrophotometric analysis | B | 7.72 | pIC50 | 18.9 | nM | IC50 | J Med Chem (2020) 63: 15752-15772 [PMID:33307675] |
| ChEMBL | Inhibition of bovine xanthine oxidase assessed as inhibition of uric acid formation after 30 mins by spectrophotometry | B | 7.73 | pIC50 | 18.6 | nM | IC50 | Eur J Med Chem (2014) 85: 508-516 [PMID:25113879] |
| ChEMBL | Inhibition of bovine milk xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 15 mins followed by substrate addition measured for every 30 sec by spectrophotometric analysis | B | 7.74 | pIC50 | 18 | nM | IC50 | Bioorg Med Chem (2021) 38: 116117-116117 [PMID:33838610] |
| ChEMBL | Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation preincubated for 5 mins followed by xanthine addition and measured after 20 mins by spectrophotometry | B | 7.74 | pIC50 | 18 | nM | IC50 | Bioorg Med Chem (2019) 27: 1818-1823 [PMID:30885567] |
| ChEMBL | Inhibition of bovine milk xanthine-oxidase using xanthine as substrate after 5 mins by spectrophotometric method | B | 8 | pIC50 | 10 | nM | IC50 | Bioorg Med Chem (2017) 25: 3606-3613 [PMID:28545814] |
| ChEMBL | Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis | B | 8 | pIC50 | 10 | nM | IC50 | Eur J Med Chem (2015) 103: 343-353 [PMID:26363870] |
| ChEMBL | Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis | B | 8 | pIC50 | 10 | nM | IC50 | Eur J Med Chem (2015) 103: 343-353 [PMID:26363870] |
| ChEMBL | Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate incubated for 3 mins by microplate assay | B | 8.15 | pIC50 | 7 | nM | IC50 | Eur J Med Chem (2020) 186: 111883-111883 [PMID:31761385] |
| ChEMBL | Inhibition of bovine milk xanthine oxidoreductase pre-incubated for 3 mins followed xanthine substrate addition and measured every 1 mins for 10 mins by spectrophotometry | B | 8.28 | pIC50 | 5.2 | nM | IC50 | Eur J Med Chem (2017) 140: 20-30 [PMID:28918097] |
| ChEMBL | Inhibition of bovine milk xanthine oxidase using xanthine as substrate preincubated for 3 mins followed by substrate addition and measured at 1 min for 10 mins | B | 8.32 | pIC50 | 4.8 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 525-528 [PMID:30630716] |
| ChEMBL | Inhibition of bovine xanthine oxidase by spectrophotometry | B | 8.52 | pIC50 | 3 | nM | IC50 | Eur J Med Chem (2010) 45: 2663-2670 [PMID:20189693] |
| xanthine dehydrogenase in Human [GtoPdb: 2646] [UniProtKB: P47989] | ||||||||
| GtoPdb | Inhibition of baculovirus expressed C-terminally FLAG-tagged human xanthine oxidase (aa 1-1333). | - | 8.9 | pIC50 | 1.26 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 1315-21 [PMID:24508129] |
| xanthine dehydrogenase in Bovine [GtoPdb: 2646] | ||||||||
| GtoPdb | In vitro assay using purified bovine enzyme | - | 9.92 | pKi | 0.12 | nM | Ki | J Biol Chem (2003) 278: 1848-55 [PMID:12421831] |
| GtoPdb | In vitro assay using purified bovine enzyme | - | 7.52 | pIC50 | 30 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 7543-6 [PMID:23122864] |
| xanthine dehydrogenase/Xanthine dehydrogenase/oxidase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075246] [GtoPdb: 2646] [UniProtKB: P22985] | ||||||||
| ChEMBL | Inhibition of rat xanthine oxidase | B | 8.4 | pIC50 | 3.98 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 1315-1321 [PMID:24508129] |
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]
