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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  • carboxylesterase 1/Acyl coenzyme A:cholesterol acyltransferase in Human [ChEMBL: CHEMBL2265] [GtoPdb: 2592] [UniProtKB: P23141]
  • Acyl coenzyme A:cholesterol acyltransferase in Rabbit [ChEMBL: CHEMBL2623] [UniProtKB: P12337]
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  • butyrylcholinesterase/Butyrylcholinesterase in Human [ChEMBL: CHEMBL1914] [GtoPdb: 2471] [UniProtKB: P06276]
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  • Dihydroorotate dehydrogenase (quinone), mitochondrial in Schistosoma mansoni [ChEMBL: CHEMBL4523950] [UniProtKB: G4VFD7]
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  • Dual specificity phosphatase Cdc25B in Human [ChEMBL: CHEMBL4804] [UniProtKB: P30305]
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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/p53-binding protein Mdm-2 in Human [ChEMBL: CHEMBL5023] [GtoPdb: 3136] [UniProtKB: Q00987]
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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]
carboxylesterase 1/Acyl coenzyme A:cholesterol acyltransferase 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]
Acyl coenzyme A:cholesterol acyltransferase 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]
butyrylcholinesterase/Butyrylcholinesterase 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 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3180] [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]
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]
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 phosphatase Cdc25B 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]
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]
Monoamine oxidase 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 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]
MDM2 proto-oncogene/p53-binding protein Mdm-2 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]
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 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]