benzbromarone [Ligand Id: 14007] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL388590 (Benzbromaron, Benzbromarona, Benzbromarone, Benzpromarone, Desuric, L-2214, MJ 10061, MJ-10061, Narcaricin mite, NSC-85433, Uroleap) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8] | ||||||||
| ChEMBL | DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA) | B | 5.53 | pKi | 2952 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA) | B | 5.28 | pIC50 | 5222 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| Aldo-keto reductase family 1 member C1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5905] [UniProtKB: Q04828] | ||||||||
| ChEMBL | Inhibition of 20-alpha HSD | B | 7.32 | pIC50 | 48 | nM | IC50 | J Med Chem (2009) 52: 3259-3264 [PMID:19397269] |
| ABCG2/ATP-binding cassette sub-family G member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0] | ||||||||
| ChEMBL | Inhibition of ABCG2 (unknown origin) transfected in HEK293 cell membrane vesicle assessed as inhibition of 14C-uric acid uptake incubated for 15 mins in presence of ATP by liquid scintillation counter analysis | B | 6.47 | pIC50 | 340 | nM | IC50 | Eur J Med Chem (2022) 242: 114682-114682 [PMID:36001935] |
| ChEMBL | Inhibition of ABCG2 (unknown origin) expressed in human HEK293-A cells membrane vesicles assessed inhibition of ABCG2-mediated urate transport activity by rapid filtration technique | B | 6.7 | pIC50 | 200 | nM | IC50 | Eur J Med Chem (2022) 237: 114346-114346 [PMID:35483322] |
| Farnesoid X receptor/Bile acid receptor FXR in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2047] [GtoPdb: 603] [UniProtKB: Q96RI1] | ||||||||
| ChEMBL | Agonist activity at FXR (unknown origin) expressed in human HepG2 cells co-transfected with human RXR incubated for 24 hrs by cell-based luciferase transactivation assay | B | 4.61 | pEC50 | 24500 | nM | EC50 | Bioorg Med Chem (2022) 75: 117073-117073 [PMID:36347120] |
| CYP2C9/Cytochrome P450 2C9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3397] [GtoPdb: 1326] [UniProtKB: P11712] | ||||||||
| ChEMBL | DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | B | 7.8 | pIC50 | 16 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| Eyes absent homolog 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293275] [UniProtKB: O00167] | ||||||||
| ChEMBL | Inhibition of human Eya2 catalytic domain by p-nitrophenylphosphate assay | B | 4.99 | pIC50 | 10300 | nM | IC50 | US-20160052904-A1. Use of small molecule inhibitors targeting eya tyrosine phosphatase (2016) |
| ChEMBL | Inhibition of human Eya2 catalytic domain using para-nitrophenol phosphate substrate incubated for 30 mins | B | 4.99 | pIC50 | 10300 | nM | IC50 | US-9725430-B2. Use of small molecule inhibitors targeting EYA tyrosine phosphatase (2017) |
| Eyes absent homolog 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4296245] [UniProtKB: Q99504] | ||||||||
| ChEMBL | Inhibition of human Eya3 isoform 2 (127 to 573 residues) using KKATOASQEpY phospho-peptide substrate | B | 4.43 | pIC50 | 37000 | nM | IC50 | US-20160052904-A1. Use of small molecule inhibitors targeting eya tyrosine phosphatase (2016) |
| ChEMBL | Inhibition of poly-histidine and GST-tagged full length human Eya3 isoform 2 (127 to 573 residues) using phospho-peptide KKATQASQEpY substrate | B | 4.43 | pIC50 | 37000 | nM | IC50 | US-9725430-B2. Use of small molecule inhibitors targeting EYA tyrosine phosphatase (2017) |
| ChEMBL | Inhibition of human Eya3 isoform 2 (127 to 573 residues) incubated for 30 mins by p-nitrophenylphosphate assay | B | 5.08 | pIC50 | 8300 | nM | IC50 | US-20160052904-A1. Use of small molecule inhibitors targeting eya tyrosine phosphatase (2016) |
| ChEMBL | Inhibition of poly-histidine and GST-tagged full length human Eya3 isoform 2 (127 to 573 residues) using para-nitrophenol phosphate substrate incubated for 30 mins | B | 5.08 | pIC50 | 8300 | nM | IC50 | US-9725430-B2. Use of small molecule inhibitors targeting EYA tyrosine phosphatase (2017) |
| Eyes absent homolog 3 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4296244] [UniProtKB: P97480] | ||||||||
| ChEMBL | Inhibition of mouse Eya3 catalytic domain (223 to 510 residues) by p-nitrophenylphosphate assay | B | 4.96 | pIC50 | 11000 | nM | IC50 | US-20160052904-A1. Use of small molecule inhibitors targeting eya tyrosine phosphatase (2016) |
| ChEMBL | Inhibition of mouse Eya3 catalytic domain (223 to 510 residues) using para-nitrophenol phosphate substrate incubated for 30 mins | B | 4.96 | pIC50 | 11000 | nM | IC50 | US-9725430-B2. Use of small molecule inhibitors targeting EYA tyrosine phosphatase (2017) |
| GroEL/GroES in Escherichia coli (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106139] [UniProtKB: Q548M1, Q7BGE6] | ||||||||
| ChEMBL | Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured rhodanese refolding by measuring rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric analysis | B | 4.31 | pIC50 | 49000 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084] |
| ChEMBL | Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured soluble pig heart MDH refolding by measuring MDH enzyme activity using sodium mesoxalate as substrate after 20 to 40 mins by malachite green dye based spectrometric analysis | B | 4.74 | pIC50 | 18000 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084] |
| HSP60/HSP10 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106131] [UniProtKB: P10809, P61604] | ||||||||
| ChEMBL | Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Rosetta(DE3) assessed as reduction in HSP60/HSP10-mediated denatured MDH refolding by measuring MDH enzyme activity using sodium mesoxalate as substrate after 40 to 60 mins by malachite green dye based spectrometric analysis | B | 5.04 | pIC50 | 9100 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084] |
| Inosine-5`-monophosphate dehydrogenase in Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM14847 / LMG 12228 / 1C / PRS 101 / PAO1) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523953] [UniProtKB: Q9HXM5] | ||||||||
| ChEMBL | Inhibition of Pseudomonas aeruginosa IMPDH using IMP as substrate in the presence of NAD+ incubated for 70 secs | B | 4.26 | pIC50 | 55000 | nM | IC50 | Eur J Med Chem (2019) 167: 124-132 [PMID:30769241] |
| mitogen-activated protein kinase 1/MAP kinase ERK2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4040] [GtoPdb: 1495] [UniProtKB: P28482] | ||||||||
| ChEMBL | DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein) | B | 5.71 | pIC50 | 1946 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| mitogen-activated protein kinase 14/MAP kinase p38 alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL260] [GtoPdb: 1499] [UniProtKB: Q16539] | ||||||||
| ChEMBL | DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein) | B | 5.91 | pIC50 | 1235 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| Monocarboxylate transporter 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2073709] [GtoPdb: 988] [UniProtKB: P53987] | ||||||||
| ChEMBL | TP_TRANSPORTER: inhibition of lactate uptake in Xenopus laevis oocytes | F | 4.66 | pIC50 | 22000 | nM | IC50 | Biochem J (1999) 341: 529-535 [PMID:10417314] |
| Monocarboxylate transporter 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2073718] [GtoPdb: 990] [UniProtKB: Q63344] | ||||||||
| ChEMBL | TP_TRANSPORTER: inhibition of lactate uptake in Xenopus laevis oocytes | F | 5.05 | pIC50 | 9000 | nM | IC50 | Biochem J (1999) 341: 529-535 [PMID:10417314] |
| ABCC1/Multidrug resistance-associated protein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3004] [GtoPdb: 779] [UniProtKB: P33527] | ||||||||
| ChEMBL | Inhibition of human MRP1 expressed in Spodoptera frugiperda Sf9 cells assessed as inhibition of NEM-GS-induced vanadate-sensitive ATPase activity measured by generation of inorganic phosphate by spectrophotometry in presence of glutathione | B | 6.72 | pKi | 190 | nM | Ki | Bioorg Med Chem (2011) 19: 3249-3254 [PMID:21530277] |
| ChEMBL | Inhibition of human MRP1 expressed in Spodoptera frugiperda Sf9 cells assessed as inhibition of NEM-GS-induced vanadate-sensitive ATPase activity measured by generation of inorganic phosphate by spectrophotometry in presence of glutathione | B | 5.4 | pIC50 | 4000 | nM | IC50 | Bioorg Med Chem (2011) 19: 3249-3254 [PMID:21530277] |
| ChEMBL | Inhibition of Homo sapiens (human) MRP1 expressed in Sf9 cell membranes assessed as decrease in N-ethyl-maleimide-glutathione-induced inorganic phosphate production by spectrophotometric analysis in presence of glutathione | B | 5.4 | pIC50 | 4000 | nM | IC50 | Med Chem Res (2013) 22: 147-155 |
| Polymerase acidic protein in Influenza A virus (A/Puerto Rico/8/1934(H1N1)) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1169598] [UniProtKB: P03433] | ||||||||
| ChEMBL | Binding affinity to PA cavity of recombinant Influenza A virus A/PR/8/34(H1N1) PA (239 to 716 residues) measured after 2 mins by SPR analysis | B | 4.32 | pKd | 48200 | nM | Kd | J Med Chem (2016) 59: 7699-7718 [PMID:27046062] |
| protein tyrosine phosphatase non-receptor type 1/Protein-tyrosine phosphatase 1B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL335] [GtoPdb: 2976] [UniProtKB: P18031] | ||||||||
| ChEMBL | Inhibition of PTP1B (unknown origin) by p-nitrophenylphosphate assay | B | 4.27 | pIC50 | 53800 | nM | IC50 | US-20160052904-A1. Use of small molecule inhibitors targeting eya tyrosine phosphatase (2016) |
| ChEMBL | Inhibition of PTP1B (unknown origin) using para-nitrophenol phosphate substrate incubated for 30 mins | B | 4.27 | pIC50 | 53800 | nM | IC50 | US-9725430-B2. Use of small molecule inhibitors targeting EYA tyrosine phosphatase (2017) |
| 5-HT2B receptor/Serotonin 2b (5-HT2b) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595] | ||||||||
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) | B | 5.94 | pKi | 1148 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) | B | 5.74 | pIC50 | 1804 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| Urate anion exchanger 1/Solute carrier family 22 member 12 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6120] [GtoPdb: 1031] [UniProtKB: Q96S37] | ||||||||
| ChEMBL | Inhibition of URAT1 in human RPTEC assessed as inhibition of [14C]uric acid uptake preincubated for 15 mins followed by [14C]uric acid addition and incubated under shaking condition for 2 hrs by scintillation counter method | B | 5.17 | pIC50 | 6800 | nM | IC50 | ACS Med Chem Lett (2020) 11: 2017-2023 [PMID:33062187] |
| ChEMBL | Inhibition Assay: URAT1 (Uric Acid Transporter 1) is expressed on the apical membrane in renal tubules. It mediates the re-uptake of uric acid from the urine into the blood. Inhibition of URAT1 leads to increased excretion of uric acid in the urine, and is therefore a potential mode of action for drugs that lower serum uric acid concentrations. Probenecid and Benzbromarone, for example, have been used clinically for treatment of gout and hyperuricemia, and they both act on URAT1 to reduce uric acid reuptake. However, benzbromarone was withdrawn from the market due to liver toxicity via mechanisms independent of URAT1, and probenecid acts on numerous transporter proteins, resulting in interactions with a variety of other drugs.An in vitro URAT1 assay is useful for identifying compounds with potential activity in lowering serum uric acid. A suitable assay involves transfection of cells (e g human embryonic kidney cells "HEK") with a vector encoding human URAT1. | B | 6.12 | pIC50 | 750 | nM | IC50 | US-8889724-B2. Tetrazole compounds for reducing uric acid (2014) |
| ChEMBL | Inhibition of human URAT1 stably overexpressing in human HEK293 cells assessed as inhibition of 14C-uric acid uptake preincubated for 30 mins followed by substrate addition and measured after 15 mins using 14C-uric acid as substrate by liquid scintillation counting analysis | B | 6.28 | pIC50 | 530 | nM | IC50 | Eur J Med Chem (2022) 242: 114682-114682 [PMID:36001935] |
| ChEMBL | Inhibition of human URAT1-mediated urate uptake in HEK293 cells | B | 6.52 | pIC50 | 300 | nM | IC50 | Drug Metab Dispos (2007) 35: 981-986 [PMID:17325024] |
| ChEMBL | Inhibition of human URAT1-mediated [8-14C]uric acid uptake expressed in HEK293 cells using [8-14C]uric acid as substrate by liquid scintillation counter analysis | B | 6.52 | pIC50 | 300 | nM | IC50 | J Nat Prod (2023) 86: 24-33 [PMID:36634312] |
| ChEMBL | Inhibition of URAT1 (unknown origin) | B | 6.66 | pIC50 | 220 | nM | IC50 | Eur J Med Chem (2019) 166: 186-196 [PMID:30769179] |
| ChEMBL | Inhibition of human URAT1 expressed in Xenopus laevis oocytes assessed as inhibition of [14C]uric acid uptake measured after 60 mins by liquid scintillation counter method | B | 6.72 | pIC50 | 190 | nM | IC50 | ACS Med Chem Lett (2020) 11: 2017-2023 [PMID:33062187] |
| ChEMBL | Inhibition of human URAT1 expressed in HEK293T cells assessed as reduction in [14C]uric acid uptake measured after 5 mins by liquid scintillation counting method | B | 6.92 | pIC50 | 120 | nM | IC50 | Bioorg Med Chem Lett (2017) 27: 1919-1922 [PMID:28351592] |
| ChEMBL | Inhibition of human URAT1 expressed in Xenopus oocytes by [14C]urate uptake assay | B | 7 | pIC50 | <100 | nM | IC50 | J Med Chem (2020) 63: 3834-3867 [PMID:31774679] |
| ChEMBL | Inhibition of human URAT1 expressed in human MDCK cells | B | 7.46 | pIC50 | 35 | nM | IC50 | J Med Chem (2011) 54: 2701-2713 [PMID:21449597] |
| ChEMBL | Inhibition of URAT1 (unknown origin) transfected in dog MDCK cells assessed as inhibition of [14C]uric acid uptake by liquid scintillation counting method | B | 7.46 | pIC50 | 34.5 | nM | IC50 | ACS Med Chem Lett (2020) 11: 2017-2023 [PMID:33062187] |
| ChEMBL | Inhibition of human URAT1 expressed in xenopus oocyte assessed as inhibition of [14C]-labelled urate uptake after 60 mins by liquid scintillation counting | B | 7.59 | pIC50 | 26 | nM | IC50 | J Med Chem (2011) 54: 2701-2713 [PMID:21449597] |
| ChEMBL | Inhibition of URAT1 (unknown origin) | B | 7.66 | pIC50 | 22 | nM | IC50 | Medchemcomm (2016) 7: 1587-1595 |
| 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 Urate uptake (Urate: 300 uM) in OAT1-expressing S2 cells | F | 5.34 | pIC50 | 4600 | nM | IC50 | Kidney Int (2003) 63: 143-155 [PMID:12472777] |
| ChEMBL | Inhibition of OAT1 (unknown origin) transfected in HEK293 cells assessed as inhibition of 6-CFL uptake preincubated for 30 mins followed by 6-CFL addition and measured for 15 mins by fluorescence based microplate reader analysis | B | 5.67 | pIC50 | 2120 | nM | IC50 | Eur J Med Chem (2022) 242: 114682-114682 [PMID:36001935] |
| Solute carrier family 2, facilitated glucose transporter member 9 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5465311] [UniProtKB: Q3T9X0] | ||||||||
| ChEMBL | Inhibition of mouse GLUT9 transfected in human HEK293 cells assessed as inhibition of uric acid induced current by cell patch-clamp assay | B | 4.7 | pIC50 | >20000 | nM | IC50 | Eur J Med Chem (2022) 242: 114682-114682 [PMID:36001935] |
| transthyretin/Transthyretin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3194] [GtoPdb: 2851] [UniProtKB: P02766] | ||||||||
| ChEMBL | Binding affinity to thyroxin binding site of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as quenching of intrinsic tryptophan fluorescence by measuring apparent dissociation constant incubated for 60 mins by fluorescence based analysis | B | 6.7 | pKd | 200 | nM | Kd | Bioorg Med Chem (2023) 90: 117370-117370 [PMID:37311373] |
| ChEMBL | Inhibition of acid mediated TTR V30M mutant aggregation (unknown origin) expressed in Escherichia coli preincubated for 30 mins followed by acetic buffer addition at pH 4.7 and measured after 7 days by thioflavin T based fluorescence analysis | B | 5.24 | pIC50 | 5700 | nM | IC50 | Bioorg Med Chem (2023) 90: 117370-117370 [PMID:37311373] |
| Piezo1 in Human [GtoPdb: 2945] [UniProtKB: Q92508] | ||||||||
| GtoPdb | - | - | 5.4 | pIC50 | - | - | - | Blood (2024) 143: 357-369 [PMID:38033286] |
ChEMBL data shown on this page come from version 35:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
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]
