juglone [Ligand Id: 13647] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL43612 (5-Hydroxy-[1,4]Naphthoquinone, Juglone) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Arachidonate 5-lipoxygenase in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2980] [UniProtKB: Q9BEG3] | ||||||||
| ChEMBL | 5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL) | F | 4.77 | pIC50 | 17000 | nM | IC50 | J Med Chem (1997) 40: 3773-3780 [PMID:9371243] |
| DNA topoisomerase I in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1781] [GtoPdb: 2636] [UniProtKB: P11387] | ||||||||
| ChEMBL | Inhibition of DNA topoisomerase 1 (unknown origin) | B | 5.08 | pIC50 | 8260 | nM | IC50 | Bioorg Med Chem Lett (2021) 41: 127976-127976 [PMID:33766765] |
| 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 | 5.7 | pIC50 | 1980 | 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 | 4.89 | pIC50 | 13000 | 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 | 4.91 | pIC50 | 12400 | nM | IC50 | Bioorg Med Chem (2009) 17: 2276-2281 [PMID:19028102] |
| indoleamine 2,3-dioxygenase 1/Indoleamine 2,3-dioxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4685] [GtoPdb: 2829] [UniProtKB: P14902] | ||||||||
| ChEMBL | Inhibition of purified human recombinant IDO | B | 6 | pIC50 | 1000 | nM | IC50 | J Med Chem (2008) 51: 1706-1718 [PMID:18318466] |
| peptidylprolyl cis/trans isomerase, NIMA-interacting 1/Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2288] [GtoPdb: 3171] [UniProtKB: Q13526] | ||||||||
| ChEMBL | Inhibition of Pin1 (unknown origin) assessed as reduction in peptidyl-prolyl isomerase activity incubated for 30 mins using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide substrate by protease coupled assay | B | 4.97 | pIC50 | 10810 | nM | IC50 | Bioorg Med Chem (2017) 25: 5441-5451 [PMID:28838831] |
| ChEMBL | Inhibition of recombinant human Pin1 (Met1 to Glu163 residues) expressed in Escherichia coli using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as substrate preincubated for 30 mins followed by substrate addition and measured for 90 secs by protease-coupled assay | B | 4.97 | pIC50 | 10810 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 1859-1863 [PMID:31103446] |
| ChEMBL | Inhibition of Pin1 (unknown origin) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate after 30 mins by protease-coupled assay | B | 4.99 | pIC50 | 10120 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 5612-5615 [PMID:25466185] |
| ChEMBL | Inhibition of recombinant N-terminal His6-tagged human Pin1 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as substrate preincubated for 30 mins followed by substrate addition measured for 90 secs | B | 5 | pIC50 | 10030 | nM | IC50 | Bioorg Med Chem Lett (2018) 28: 3187-3193 [PMID:30153964] |
| ChEMBL | Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as substrate preincubated for 10 mins followed by substrate addition monitored for 90 secs by protease enzyme coupled based spectrophotometric analysis | B | 5.23 | pIC50 | 5900 | nM | IC50 | Bioorg Med Chem (2018) 26: 2186-2197 [PMID:29576270] |
| ChEMBL | Inhibition of human Pin1 using Suc-AEPF-NH-Np as substrate | B | 5.3 | pIC50 | 5000 | nM | IC50 | J Med Chem (2023) 66: 9251-9277 [PMID:37438908] |
| Protein disulfide-isomerase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5422] [UniProtKB: P07237] | ||||||||
| ChEMBL | Inhibition of human recombinant PDI assessed as inhibition of E-GSH formation using Di-E-GSSG as substrate measured for 60 mins in presence of DTT by fluorescence based analysis | B | 5.96 | pIC50 | 1100 | nM | IC50 | J Med Chem (2024) 67: 3626-3642 [PMID:38381886] |
| ChEMBL | Inhibition of PDI in human platelets assessed as inhibition of E-GSH formation using Di-E-GSSG as substrate measured for 60 mins in presence of DTT by fluorescence based analysis | B | 6.2 | pIC50 | 630 | nM | IC50 | J Med Chem (2024) 67: 3626-3642 [PMID:38381886] |
| protein disulfide isomerase family A member 3/Protein disulfide-isomerase A3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4296001] [GtoPdb: 3293] [UniProtKB: P30101] | ||||||||
| ChEMBL | Inhibition of human recombinant ERp57 assessed as inhibition of E-GSH formation using Di-E-GSSG as substrate measured for 60 mins in presence of DTT by fluorescence based analysis | B | 5.62 | pIC50 | 2400 | nM | IC50 | J Med Chem (2024) 67: 3626-3642 [PMID:38381886] |
| Protein disulfide-isomerase A4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4295717] [UniProtKB: P13667] | ||||||||
| ChEMBL | Inhibition of human recombinant ERp72 assessed as inhibition of E-GSH formation using Di-E-GSSG as substrate measured for 60 mins in presence of DTT by fluorescence based analysis | B | 5.5 | pIC50 | 3160 | nM | IC50 | J Med Chem (2024) 67: 3626-3642 [PMID:38381886] |
| aurora kinase A/Serine/threonine-protein kinase Aurora-A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4722] [GtoPdb: 1936] [UniProtKB: O14965] | ||||||||
| GtoPdb | - | - | 7.3 | pIC50 | 50 | nM | IC50 | J Nat Prod (2022) 85: 1503-1513 [PMID:35687347] |
| ChEMBL | Inhibition of Aurora A (unknown origin) | B | 7.3 | pIC50 | 50 | nM | IC50 | J Nat Prod (2022) 85: 1503-1513 [PMID:35687347] |
| aurora kinase B/Serine/threonine-protein kinase Aurora-B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2185] [GtoPdb: 1937] [UniProtKB: Q96GD4] | ||||||||
| ChEMBL | Inhibition of Aurora B (unknown origin) | B | 6.21 | pIC50 | 620 | nM | IC50 | J Nat Prod (2022) 85: 1503-1513 [PMID:35687347] |
| TRPA1/Transient receptor potential cation channel subfamily A member 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6007] [GtoPdb: 485] [UniProtKB: O75762] | ||||||||
| ChEMBL | Activation of human TRPA1 expressed in HEK293 cells assessed as increase in calcium level by fluo-4 dye based plate reader analysis | B | 5.77 | pEC50 | 1700 | nM | EC50 | J Nat Prod (2016) 79: 697-703 [PMID:26905390] |
| CoV 3C-like (main) protease in SARS-CoV-2 [GtoPdb: 3111] | ||||||||
| GtoPdb | - | - | 7.8 | pIC50 | 15.75 | nM | IC50 | Eur J Med Chem (2021) 225: 113789 [PMID:34438124] |
ChEMBL data shown on this page come from version 34:
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]
