allopurinol [Ligand Id: 6795] activity data from GtoPdb and ChEMBL

Click here for a description of the charts and data table

Please tell us if you are using this feature and what you think!

ChEMBL ligand: CHEMBL1467 (NSC-101655, BW-56-158, NSC-1390, Allopurinol, Aluline 300, Cosuric, Xanthomax-100, Zyloric-300, BW-56158, Aluline 100, Aloral, Hamarin 300, Xanthomax-300, Zyloric, Hamarin 100, Ledopur, Caplenal, Lopurin, Zyloprim, Uricto)
There should be some charts here, you may need to enable JavaScript!
There should be some charts here, you may need to enable JavaScript!
  • xanthine dehydrogenase/Xanthine dehydrogenase in Human [ChEMBL: CHEMBL1929] [GtoPdb: 2646] [UniProtKB: P47989]
  • Xanthine dehydrogenase in Bovine [ChEMBL: CHEMBL3649] [UniProtKB: P80457]
There should be some charts here, you may need to enable JavaScript!
  • xanthine dehydrogenase in Human [GtoPdb: 2646] [UniProtKB: P47989]
  • xanthine dehydrogenase/Xanthine dehydrogenase/oxidase in Rat [ChEMBL: CHEMBL1075246] [GtoPdb: 2646] [UniProtKB: P22985]
There should be some charts here, you may need to enable JavaScript!
DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
CYP3A4/Cytochrome P450 3A4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL340] [GtoPdb: 1337] [UniProtKB: P08684]
ChEMBL null: A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. CYP3A4A is thought to be one of the primary CYP isoforms responsible for retinoic acid metabolism in the skin. Three benchmark agents, liarozole, climbazole, and ketoconazole, were assessed for CYP3A4 inhibition to confirm that the inhibition activity (the IC50 for CYP3A4 inhibition) measured by the assay corresponds to the activity reported by the published literature. The results show that the substituted azole compounds having the specific structure set forth herein are CYP inhibitors, and thus function as RAMBAs. B 5 pIC50 >10000 nM IC50 US-9138393-B2. Cosmetic compositions containing substituted azole and methods for improving the appearance of aging skin (2015)
ChEMBL In vitro CYP3A4 Inhibition Assay: Cytochrome P450 is a large and diverse group of enzymes that catalyze the oxidation of organic substances. Some members of the CYP family contribute to the elimination of ATRA by catalyzing its 4-hydroxylation in the mammalian liver and skin, including that of humans as well as swine. Applicant evaluated the potential RAMBA activity of several azoles using pig liver microsomes, a rich source of CYP activity, comprising many different CYP 450 isoforms. Therefore, this approach, while a reasonable way to assess CYP inhibitors with broad activities may or may not be the best way to discover RAMBAs with selectivity for the skin, which has a much more narrow complement of CYP expression. As understanding in this area has progressed, a more specific CYP inhibition assay can be used to provide better predictivity of activity in human skin. Nevertheless, this assay may still be used as a general predictor of overall CYP activity. B 5 pIC50 >10000 nM IC50 US-9144538-B2. Cosmetic compositions containing substituted azole and methods for alleviating the signs of photoaged skin (2015)
Shiga toxin subunit A in Shigella dysenteriae (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3879822] [UniProtKB: Q9FBI2]
ChEMBL Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit in African green monkey Vero cells assessed as inhibition of Stx-induced cytotoxicity pre-treated with compound for 1 hr followed by Stx exposure for 24 hrs by neutral red uptake assay B 4.62 pIC50 23900 nM IC50 J Med Chem (2016) 59: 10763-10773 [PMID:27933947]
xanthine dehydrogenase/Xanthine dehydrogenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1929] [GtoPdb: 2646] [UniProtKB: P47989]
ChEMBL Inhibition of xanthine oxidase (unknown origin) B 5.14 pKi 7300 nM Ki Eur. J. Med. Chem. (2014) 84: 206-239 [PMID:25019478]
GtoPdb - - 5.15 pKi 7000 nM Ki J. Med. Chem. (1996) 39: 2529-35 [PMID:8691450]
ChEMBL Inhibitory activity against Xanthine Oxidase B 5.15 pKi 7000 nM Ki J. Med. Chem. (1996) 39: 2529-2535 [PMID:8691450]
ChEMBL Non-competitive inhibition of xanthine oxidase (unknown origin) by Lineweaver-Burk plot analysis B 5.81 pKi 1550 nM Ki Bioorg. Med. Chem. (2016) 24: 226-231 [PMID:26712096]
ChEMBL Inhibition of human xanthine oxidase B 7 pKi 100 nM Ki J. Nat. Prod. (2014) 77: 1693-1699 [PMID:25060641]
ChEMBL Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition by spectrophotometric method B 4.3 pIC50 50150 nM IC50 Bioorg Med Chem (2017) 25: 3562-3566 [PMID:28511908]
ChEMBL Inhibition of xanthine oxidase B 4.46 pIC50 34910 nM IC50 J. Nat. Prod. (2005) 68: 1615-1621 [PMID:16309309]
ChEMBL Inhibition of Xanthine oxidase B 4.46 pIC50 34910 nM IC50 Bioorg. Med. Chem. Lett. (2003) 13: 2777-2780 [PMID:12873513]
ChEMBL Inhibition of xanthine oxidase (unknown origin) B 4.5 pIC50 31620 nM IC50 Eur J Med Chem (2018) 156: 394-429 [PMID:30015075]
ChEMBL Inhibition of xanthine oxidase (unknown origin) assessed as reduction in uric acid formation using xanthine as substrate after 30 mins by UV-Vis spectrophotometric assay B 4.5 pIC50 31620 nM IC50 Eur J Med Chem (2017) 135: 491-516 [PMID:28478180]
ChEMBL Inhibition of xanthine oxidase (unknown origin) assessed as reduction in uric acid formation using xanthine as substrate after 4 mins by UV-Vis spectrophotometric assay B 4.51 pIC50 30700 nM IC50 Eur J Med Chem (2017) 135: 491-516 [PMID:28478180]
ChEMBL Inhibition of xanthine oxidase B 4.61 pIC50 24400 nM IC50 Eur. J. Med. Chem. (2008) 43: 771-780 [PMID:17692432]
ChEMBL Inhibition of xanthine oxidase (unknown origin) by SAR analysis B 4.61 pIC50 24300 nM IC50 Eur J Med Chem (2017) 135: 491-516 [PMID:28478180]
ChEMBL Inhibition of xanthine oxidase by spectrophotometry B 4.62 pIC50 24200 nM IC50 J. Nat. Prod. (1999) 62: 1053-1055 [PMID:10425142]
ChEMBL Inhibition of xanthine oxidase assessed as formation of formazan at 16 ug/ml after 2 hrs by spectrophotometry B 4.63 pIC50 23500 nM IC50 Bioorg. Med. Chem. (2009) 17: 3414-3425 [PMID:19362850]
ChEMBL Inhibition of xanthine oxidase assessed as decrease of superoxide generation B 4.66 pIC50 21800 nM IC50 Bioorg. Med. Chem. Lett. (2008) 18: 5006-5009 [PMID:18722771]
ChEMBL Inhibition of xanthine oxidase assessed as decrease of uric acid generation B 4.94 pIC50 11400 nM IC50 Bioorg. Med. Chem. Lett. (2008) 18: 5006-5009 [PMID:18722771]
ChEMBL Inhibition of xanthine oxidase assessed as uric acid formation by spectrophotometry B 4.99 pIC50 10340 nM IC50 Eur. J. Med. Chem. (2008) 43: 862-871 [PMID:17706325]
ChEMBL Inhibition of xanthine oxidase B 5.01 pIC50 9820 nM IC50 J. Nat. Prod. (2006) 69: 1089-1091 [PMID:16872152]
ChEMBL Inhibition of human xanthine oxidase B 5.11 pIC50 7820 nM IC50 Bioorg. Med. Chem. (2007) 15: 3450-3456 [PMID:17379526]
ChEMBL Inhibition of xanthine oxidase B 5.13 pIC50 7450 nM IC50 J. Nat. Prod. (2005) 68: 189-193 [PMID:15730241]
ChEMBL Inhibitory activity against Xanthine Oxidase B 5.38 pIC50 4200 nM IC50 J. Med. Chem. (1996) 39: 2529-2535 [PMID:8691450]
ChEMBL Inhibition of xanthine oxidase using xanthine as substrate at 30 mins by spectrophotometric analysis B 5.38 pIC50 4190 nM IC50 Bioorg. Med. Chem. Lett. (2012) 22: 7543-7546 [PMID:23122864]
GtoPdb - - 5.38 pIC50 4200 nM IC50 J. Med. Chem. (1996) 39: 2529-35 [PMID:8691450]
ChEMBL Inhibition of Xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 3 mins followed by substrate addition measured every 15 secs for 7 mins by spectrophotometry B 5.44 pIC50 3610 nM IC50 Eur J Med Chem (2016) 124: 637-648 [PMID:27614410]
ChEMBL Inhibition of xanthine oxidase (unknown origin) at 30 uM using xanthine as substrate preincubated for 5 mins followed by substrate addition measured every min for 10 mins by spectrophotometric method relative to control B 5.5 pIC50 3170 nM IC50 Eur J Med Chem (2018) 143: 829-842 [PMID:29223098]
ChEMBL Inhibition of xanthine oxidase B 5.52 pIC50 3000 nM IC50 J. Nat. Prod. (2010) 73: 992-994 [PMID:20384317]
ChEMBL Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by spectrophotometric analysis B 5.54 pIC50 2900 nM IC50 Bioorg. Med. Chem. Lett. (2015) 25: 2778-2781 [PMID:26022844]
ChEMBL Inhibition of Xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 1 to 5 mins followed by substrate addition B 5.54 pIC50 2900 nM IC50 Bioorg Med Chem (2018) 26: 1653-1664 [PMID:29472126]
ChEMBL Inhibition of Xanthine oxidase B 5.66 pIC50 2200 nM IC50 Bioorg. Med. Chem. Lett. (2007) 17: 2558-2560 [PMID:17346963]
ChEMBL Inhibtion Assay : Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P: Int J Biochem. 10:317-9, 1979) with minor variations. The procedure was internally standardized using allopurinol and DPI as controls for all experiments after determination of their optimal inhibitory concentrations. Experiments on test compounds were performed in triplicate in multi-well plates using 10 concentrations of each compound that ranged over a 3-fold dilution. B 5.67 pIC50 2130 nM IC50 US-9428466-B2. Methods for reducing uric acid levels using barbiturate derivatives (2016)
ChEMBL Inhibition of xanthine oxidase B 5.7 pIC50 2000 nM IC50 J. Nat. Prod. (2008) 71: 1027-1031 [PMID:18512985]
ChEMBL Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate measured at every 1 mins up to 5 mins B 5.7 pIC50 2000 nM IC50 Eur J Med Chem (2017) 135: 491-516 [PMID:28478180]
ChEMBL Inhibition of xanthine oxidase B 5.7 pIC50 2000 nM IC50 Bioorg. Med. Chem. (2008) 16: 7270-7276 [PMID:18606546]
ChEMBL Inhibition of xanthine oxidase activity assessed as uric acid formation pretreated for 15 mins before substrate addition measured after 5 mins B 5.72 pIC50 1900 nM IC50 Eur. J. Med. Chem. (2011) 46: 1222-1231 [PMID:21345544]
ChEMBL Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate pretreated for 10 mins followed by substrate addition measured every 2 mins for 6 mins B 6 pIC50 1000 nM IC50 J Nat Prod (2017) 80: 2778-2786 [PMID:28972762]
ChEMBL Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate assessed as inhibition of uric acid formation after 30 mins by spectrophotometric method B 6.02 pIC50 950 nM IC50 Eur. J. Med. Chem. (2016) 119: 197-217 [PMID:27162124]
ChEMBL Inhibition of xanthine oxidase assessed as decrease in uric acid production by spectrophotometry B 6.62 pIC50 240 nM IC50 J. Nat. Prod. (1998) 61: 71-76 [PMID:9461655]
ChEMBL Inhibition of xanthine oxidase (unknown origin) B 6.7 pIC50 200 nM IC50 Bioorg. Med. Chem. (2016) 24: 578-587 [PMID:26762836]
ChEMBL Inhibition of XOD B 6.74 pIC50 180 nM IC50 J. Nat. Prod. (2009) 72: 1198-1201 [PMID:19476336]
ChEMBL Inhibition of xanthine oxidase (unknown origin) assessed as reduction in uric acid formation using xanthine as substrate after 10 mins B 7 pIC50 100 nM IC50 Eur J Med Chem (2017) 135: 491-516 [PMID:28478180]
ChEMBL Inhibition of xanthine oxidase (unknown origin) assessed as reduction in uric acid formation preincubated for 5 mins followed by addition of xanthine substrate measured every minute up to 8 mins B 8.44 pIC50 3.6 nM IC50 Bioorg Med Chem (2017) 25: 166-174 [PMID:28340987]
Xanthine dehydrogenase in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3649] [UniProtKB: P80457]
ChEMBL Binding affinity to bovine milk xanthine oxidase assessed as reduction in conversion of 4-HPP to 4,6-diHPP by measuring cytochrome c reduction by spectrophotometric assay B 9.27 pKd 0.54 nM Kd Eur J Med Chem (2017) 135: 491-516 [PMID:28478180]
ChEMBL Mixed-type inhibition of bovine milk xanthine oxidase using hypoxanthine as substrate by Lineweaver-Burk plot analysis B 5.59 pKi 2600 nM Ki J. Med. Chem. (1976) 19: 291-296 [PMID:2778]
ChEMBL Mixed-type inhibition of bovine milk xanthine oxidase using xanthine as substrate by Lineweaver-Burk plot analysis B 6 pKi 1000 nM Ki J. Med. Chem. (1976) 19: 291-296 [PMID:2778]
ChEMBL Inhibition of bovine milk xanthine oxidase using xanthine as substrate preincubated for 15 mins followed by substrate addition by spectrophotometric method B 4.36 pIC50 44000 nM IC50 Bioorg. Med. Chem. Lett. (2016) 26: 2874-2879 [PMID:27133595]
ChEMBL Inhibition of bovine milk xanthine oxidase pre-incubated for 30 mins followed by xanthine addition and measured every 30 secs for 5 mins by spectrophotometry B 4.71 pIC50 19600 nM IC50 Bioorg Med Chem Lett (2017) 27: 3602-3606 [PMID:28655421]
ChEMBL Inhibition of bovine xanthine oxidase using xanthine as substrate measured for 6 mins at 25 degC by spectrophotometry B 4.95 pIC50 11230 nM IC50 Eur. J. Med. Chem. (2014) 75: 289-296 [PMID:24556143]
ChEMBL Inhibition of bovine milk xanthine oxidase using xanthine as substrate assessed as decrease in uric acid formation preincubated for 5 mins B 4.95 pIC50 11100 nM IC50 Bioorg. Med. Chem. Lett. (2014) 24: 495-500 [PMID:24388807]
ChEMBL Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate pretreated for 5 mins followed by substrate addition measured by UV-vis spectrophotometric method B 4.95 pIC50 11100 nM IC50 Eur J Med Chem (2017) 131: 14-28 [PMID:28286211]
ChEMBL Inhibition of bovine xanthine oxidase using xanthine as substrate preincubated for 3 mins followed by substrate addition and measured for every 15 secs for 7 mins by spectrophotometric analysis B 4.97 pIC50 10610 nM IC50 Eur J Med Chem (2018) 151: 849-860 [PMID:29684895]
ChEMBL Inhibition of bovine xanthine oxidase assessed as reduction in uric acid levels using xanthine as substrate after 120 mins by spectrophotometry B 5.01 pIC50 9800 nM IC50 Bioorg Med Chem Lett (2017) 27: 729-732 [PMID:28131711]
ChEMBL Inhibition of bovine milk XO assessed as decrease in uric acid formation after 5 mins by UV-spectrophotometric analysis B 5.07 pIC50 8500 nM IC50 Bioorg. Med. Chem. (2012) 20: 5649-5657 [PMID:22901670]
ChEMBL Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 10 mins followed by substrate addition by UV spectrophotometric method B 5.07 pIC50 8500 nM IC50 Eur J Med Chem (2017) 141: 362-372 [PMID:29032030]
ChEMBL Inhibition of bovine milk xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 5 mins followed by substrate addition by UV-Vis spectrophotometric assay B 5.08 pIC50 8310 nM IC50 Eur J Med Chem (2017) 135: 491-516 [PMID:28478180]
ChEMBL Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry B 5.08 pIC50 8300 nM IC50 Bioorg. Med. Chem. (2011) 19: 1950-1958 [PMID:21353569]
ChEMBL Inhibition of bovine milk xanthine oxidase assessed as decrease of uric acid formation preincubated for 5 mins by UV-visible spectrophotometric analysis B 5.08 pIC50 8300 nM IC50 Bioorg. Med. Chem. (2011) 19: 5569-5576 [PMID:21862335]
ChEMBL Inhibition of bovine xanthine oxidase assessed as reduction in uric acid production using xanthine as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric analysis B 5.12 pIC50 7560 nM IC50 Bioorg Med Chem Lett (2017) 27: 3812-3816 [PMID:28693909]
ChEMBL Inhibition of bovine xanthine oxidase assessed as uric acid formation using xanthine as substrate after 30 mins by spectrophotometric analysis B 5.24 pIC50 5700 nM IC50 Bioorg. Med. Chem. (2012) 20: 2930-2939 [PMID:22483591]
ChEMBL Inhibition of bovine milk xanthine oxidase using xanthine as substrate B 5.3 pIC50 5000 nM IC50 J. Med. Chem. (1976) 19: 291-296 [PMID:2778]
ChEMBL Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis B 5.38 pIC50 4200 nM IC50 Bioorg. Med. Chem. Lett. (2013) 23: 834-838 [PMID:23265878]
ChEMBL Inhibition of cow milk xanthine oxidoreductase using hypoxanthine by spectrophotometry B 5.38 pIC50 4200 nM IC50 Eur J Med Chem (2017) 140: 20-30 [PMID:28918097]
ChEMBL Inhibition of bovine milk xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 3 hrs followed by substrate addition measured after 1 min by UV spectrophotometric assay B 5.45 pIC50 3530 nM IC50 Eur J Med Chem (2017) 135: 491-516 [PMID:28478180]
ChEMBL Inhibition of bovine xanthine oxidase B 5.52 pIC50 3000 nM IC50 J. Med. Chem. (1977) 20: 1189-1193 [PMID:926119]
ChEMBL Inhibition of bovine milk xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 3 hrs followed by substrate addition by UV-Vis spectrophotometric assay B 5.53 pIC50 2930 nM IC50 Eur J Med Chem (2017) 135: 491-516 [PMID:28478180]
ChEMBL Inhibition of bovine milk xanthine oxidase using xanthine as substrate pretreated for 15 mins followed by substrate addition measured after 8 mins B 5.59 pIC50 2600 nM IC50 Bioorg Med Chem (2018) 26: 536-542 [PMID:29274704]
ChEMBL Inhibition of bovine milk XOR-mediated uric acid formation after 15 mins by spectrophotometer B 5.64 pIC50 2300 nM IC50 Bioorg. Med. Chem. Lett. (2009) 19: 6225-6229 [PMID:19783139]
ChEMBL Inhibition of bovine xanthine oxidase using xanthine as substrate preincubated for 10 mins followed by substrate addition measured for 15 mins by spectrophotometric method B 5.7 pIC50 2000 nM IC50 Bioorg Med Chem (2017) 25: 2351-2371 [PMID:28302506]
ChEMBL Inhibition of cow milk xanthine oxidase B 5.8 pIC50 1600 nM IC50 J. Nat. Prod. (1989) 52: 210-211 [PMID:2723668]
ChEMBL Inhibition of bovine milk xanthine oxidase by spectrophotometry B 6.14 pIC50 730 nM IC50 Bioorg. Med. Chem. (2011) 19: 211-220 [PMID:21163661]
ChEMBL Inhibition of bovine milk xanthine-oxygen reductase using xanthine as substrate by spectrophotometric assay B 6.59 pIC50 260 nM IC50 Eur J Med Chem (2017) 135: 491-516 [PMID:28478180]
ChEMBL In vitro inhibitory concentration against Xanthine oxidase B 6.59 pIC50 260 nM IC50 Bioorg. Med. Chem. Lett. (2001) 11: 879-882 [PMID:11294382]
ChEMBL Inhibition of bovine milk xanthine oxidase using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by UV-VIS spectrophotometric analysis B 6.6 pIC50 250 nM IC50 Eur J Med Chem (2018) 143: 577-582 [PMID:29207340]
xanthine dehydrogenase in Human [GtoPdb: 2646] [UniProtKB: P47989]
GtoPdb - - 5.15 pKi 7000 nM Ki J. Med. Chem. (1996) 39: 2529-35 [PMID:8691450]
GtoPdb - - 5.38 pIC50 4200 nM IC50 J. Med. Chem. (1996) 39: 2529-35 [PMID:8691450]
xanthine dehydrogenase/Xanthine dehydrogenase/oxidase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075246] [GtoPdb: 2646] [UniProtKB: P22985]
ChEMBL Inhibition of rat liver xanthine oxidase after 2 hrs by spectrophotometry B 4.67 pIC50 21200 nM IC50 J. Med. Chem. (2009) 52: 7732-7752 [PMID:19673490]
ChEMBL Inhibition of Wistar albino rat xanthine oxidase isolated from liver using xanthine as substrate incubated for 15 mins prior to substrate addition by spectrophotometric analysis B 5.22 pIC50 6000 nM IC50 Bioorg. Med. Chem. (2013) 21: 365-372 [PMID:23177727]
ChEMBL Inhibition of rat liver xanthine oxidase by spectrophotometry B 6.12 pIC50 753 nM IC50 Bioorg. Med. Chem. (2011) 19: 211-220 [PMID:21163661]

ChEMBL data shown on this page come from version 26:

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]