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ChEMBL ligand: CHEMBL42710 (4-allylcatechol 2-methyl ether, Bioxeda, Caryophillic acid, Dentogum, Eugenol, FEMA NO. 2467, NSC-209525, NSC-8895) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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Androgen receptor/Androgen Receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1871] [GtoPdb: 628] [UniProtKB: P10275] | ||||||||
ChEMBL | Antagonist activity at AR in human MDA-kb2 cells co-transfected with MMTV-luc assessed as decrease in DHT-induced luciferase activity by reporter gene assay | F | 4.72 | pIC50 | 19054.61 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 2111-2114 [PMID:20226658] |
ChEMBL | Antagonist activity at AR in human MDA-kb2 cells co-transfected with MMTV-luc assessed as decrease in DHT-induced luciferase activity by reporter gene assay | F | 4.72 | pIC50 | 19000 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 2111-2114 [PMID:20226658] |
5-LOX/Arachidonate 5-lipoxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL215] [GtoPdb: 1385] [UniProtKB: P09917] | ||||||||
ChEMBL | Inhibition of human PMNL 5-LOX using arachidonic acid as substrate after 5 mins by HPLC method | B | 4.59 | pIC50 | 26000 | nM | IC50 | Bioorg Med Chem (2019) 27: 3745-3759 [PMID:31331653] |
COX-1 /Cyclooxygenase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL221] [GtoPdb: 1375] [UniProtKB: P23219] | ||||||||
ChEMBL | Inhibition of COX1 | B | 4.96 | pIC50 | 11000 | nM | IC50 | J Nat Prod (2005) 68: 985-991 [PMID:16038536] |
TRPM8/Transient receptor potential cation channel subfamily M member 8 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075319] [GtoPdb: 500] [UniProtKB: Q7Z2W7] | ||||||||
ChEMBL | Agonist activity at human TRMP8 expressed in HEK293 cells | B | 4.18 | pEC50 | 66000 | nM | EC50 | J Med Chem (2016) 59: 10006-10029 [PMID:27437828] |
TRPV3 in Mouse [GtoPdb: 509] [UniProtKB: Q8K424] | ||||||||
GtoPdb | Patch clamp electrophysiology | - | 2.5 | pEC50 | - | - | - | Nat Neurosci (2006) 9: 628-35 [PMID:16617338] |
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]