benzoquinone [Ligand Id: 6307] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL8320
  • acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Human [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303]
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  • Monoamine oxidase A/Amine oxidase [flavin-containing] A in Human [ChEMBL: CHEMBL1951] [GtoPdb: 2489] [UniProtKB: P21397]
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  • Monoamine oxidase B/Amine oxidase [flavin-containing] B in Human [ChEMBL: CHEMBL2039] [GtoPdb: 2490] [UniProtKB: P27338]
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  • butyrylcholinesterase/Cholinesterase in Human [ChEMBL: CHEMBL1914] [GtoPdb: 2471] [UniProtKB: P06276]
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  • carboxylesterase 2/Cocaine esterase in Human [ChEMBL: CHEMBL3180] [GtoPdb: 3298] [UniProtKB: O00748]
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  • Dihydroorotate dehydrogenase (quinone), mitochondrial in Schistosoma mansoni [ChEMBL: CHEMBL4523950] [UniProtKB: G4VFD7]
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  • Dual specificity protein phosphatase 1 in Mouse [ChEMBL: CHEMBL5623] [UniProtKB: P28563]
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  • Dual specificity protein phosphatase 6 in Rat [ChEMBL: CHEMBL5511] [UniProtKB: Q64346]
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  • MDM2 proto-oncogene/E3 ubiquitin-protein ligase Mdm2 in Human [ChEMBL: CHEMBL5023] [GtoPdb: 3136] [UniProtKB: Q00987]
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  • carboxylesterase 1/Liver carboxylesterase 1 in Human [ChEMBL: CHEMBL2265] [GtoPdb: 2592] [UniProtKB: P23141]
  • Liver carboxylesterase 1 in Rabbit [ChEMBL: CHEMBL2623] [UniProtKB: P12337]
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  • M-phase inducer phosphatase 2 in Human [ChEMBL: CHEMBL4804] [UniProtKB: P30305]
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  • TRPA1 in Human [GtoPdb: 485] [UniProtKB: O75762]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303]
ChEMBL Inhibition constant against human Acetylcholinesterase (hAcChE) using acetylthiocholine (AcTCh) as substrate B 6.02 pKi 955 nM Ki J Med Chem (2005) 48: 2906-2915 [PMID:15828829]
Monoamine oxidase A/Amine oxidase [flavin-containing] A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1951] [GtoPdb: 2489] [UniProtKB: P21397]
ChEMBL Competitive inhibition of human brain mitochondria MAO-A using kynuramine as substrate by Lineweaver-Burk analysis B 5.02 pKi 9620 nM Ki Eur J Med Chem (2017) 135: 196-203 [PMID:28456030]
ChEMBL Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cell microsomes using kynuramine as substrate after 20 mins by fluorescence spectroscopy B 5.32 pIC50 4820 nM IC50 Eur J Med Chem (2017) 135: 196-203 [PMID:28456030]
Monoamine oxidase B/Amine oxidase [flavin-containing] B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2039] [GtoPdb: 2490] [UniProtKB: P27338]
ChEMBL Non-competitive inhibition of human brain mitochondria MAO-B using kynuramine as substrate by Lineweaver-Burk analysis B 4.69 pKi 20300 nM Ki Eur J Med Chem (2017) 135: 196-203 [PMID:28456030]
ChEMBL Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cell microsomes using kynuramine as substrate after 20 mins by fluorescence spectroscopy B 4.99 pIC50 10200 nM IC50 Eur J Med Chem (2017) 135: 196-203 [PMID:28456030]
Caspase 1/Caspase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4801] [GtoPdb: 1617] [UniProtKB: P29466]
ChEMBL Inhibitory activity against IL-1 beta converting enzyme was evaluated. B 5.52 pIC50 3000 nM IC50 Bioorg Med Chem Lett (1998) 8: 1883-1886 [PMID:9873452]
butyrylcholinesterase/Cholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1914] [GtoPdb: 2471] [UniProtKB: P06276]
ChEMBL Inhibition constant against human Butyrylcholinesterase (hBuChE) using butyrylthiocholine (BuTCh) as substrate B 5.69 pKi 2050 nM Ki J Med Chem (2005) 48: 2906-2915 [PMID:15828829]
carboxylesterase 2/Cocaine esterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3180] [GtoPdb: 3298] [UniProtKB: O00748]
ChEMBL Inhibition constant against human intestinal carboxylesterase 2 (hiCE) using nitrophenyl acetate (o-NPA) as substrate B 4 pKi >100000 nM Ki J Med Chem (2005) 48: 2906-2915 [PMID:15828829]
Dihydroorotate dehydrogenase (quinone), mitochondrial in Schistosoma mansoni (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523950] [UniProtKB: G4VFD7]
ChEMBL Inhibition of Schistosoma mansoni DHODH using DHO as substrate measured at 4 secs interval for 60 secs by DCIP reduction based indirect assay B 5.06 pIC50 8800 nM IC50 Eur J Med Chem (2019) 167: 357-366 [PMID:30776695]
Dual specificity protein phosphatase 1 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5623] [UniProtKB: P28563]
ChEMBL Inhibition of histidine-tagged mouse MKP1 catalytic domain expressed in human Hela cells B 4.3 pIC50 >50000 nM IC50 Bioorg Med Chem (2009) 17: 2276-2281 [PMID:19028102]
Dual specificity protein phosphatase 6 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5511] [UniProtKB: Q64346]
ChEMBL Inhibition of histidine-tagged rat recombinant MKP3 catalytic domain expressed in Escherichia coli BL21(DE3) B 4.3 pIC50 >50000 nM IC50 Bioorg Med Chem (2009) 17: 2276-2281 [PMID:19028102]
MDM2 proto-oncogene/E3 ubiquitin-protein ligase Mdm2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5023] [GtoPdb: 3136] [UniProtKB: Q00987]
ChEMBL Inhibition of biotin-labelled p53 binding to MDM2 (25 to 109 residues) (unknown origin) by surface plasmon resonance method B 4.86 pIC50 13900 nM IC50 Bioorg Med Chem Lett (2017) 27: 2571-2574 [PMID:28400230]
carboxylesterase 1/Liver carboxylesterase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2265] [GtoPdb: 2592] [UniProtKB: P23141]
ChEMBL Inhibition constant against human liver carboxylesterase 1 (hCE1) using nitrophenyl acetate (o-NPA) as substrate B 4 pKi >100000 nM Ki J Med Chem (2005) 48: 2906-2915 [PMID:15828829]
Liver carboxylesterase 1 in Rabbit (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2623] [UniProtKB: P12337]
ChEMBL Inhibition constant against rabbit liver carboxylesterase (rCE) using nitrophenyl acetate (o-NPA) as substrate B 4 pKi >100000 nM Ki J Med Chem (2005) 48: 2906-2915 [PMID:15828829]
M-phase inducer phosphatase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4804] [UniProtKB: P30305]
ChEMBL Inhibition of histidine-tagged human recombinant Cdc25B catalytic domain expressed in Escherichia coli B 4.3 pIC50 >50000 nM IC50 Bioorg Med Chem (2009) 17: 2276-2281 [PMID:19028102]
TRPA1 in Human [GtoPdb: 485] [UniProtKB: O75762]
GtoPdb Calcium imaging - 6.4 pEC50 - - - Nat Commun (2011) 2: 551 [PMID:22109525]

ChEMBL data shown on this page come from version 36:

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]