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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] |
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 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]