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ChEMBL ligand: CHEMBL83527 (4-(3,5-Dimethoxystyryl)Phenol, Pterostilben, Pterostilbene, Pterostilbene, (e)-, Trans-pterostilbene) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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5-LOX/Arachidonate 5-lipoxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL215] [GtoPdb: 1385] [UniProtKB: P09917] | ||||||||
ChEMBL | Inhibition of human 5-LOX using arachidonic acid as substrate measured after 10 mins by ELISA | B | 5.03 | pIC50 | 9320 | nM | IC50 | Bioorg Med Chem (2019) 27: 604-619 [PMID:30638966] |
ChEMBL | Inhibition of human 5-LOX expressed in Escherichia coli BL21 using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition by HPLC analysis | B | 5.41 | pIC50 | 3910 | nM | IC50 | Eur J Med Chem (2019) 180: 637-647 [PMID:31351395] |
ChEMBL | Inhibition of 5-LOX in human PMNL cells assessed as A23187-stimulated LTB4 production preincubated for 15 mins followed by A23187 addition and measured after 10 mins by HPLC analysis | B | 6.28 | pIC50 | 530 | nM | IC50 | Eur J Med Chem (2019) 180: 637-647 [PMID:31351395] |
COX-1 /Cyclooxygenase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL221] [GtoPdb: 1375] [UniProtKB: P23219] | ||||||||
ChEMBL | Inhibition of COX1 | B | 6.15 | pIC50 | 700 | nM | IC50 | Bioorg Med Chem (2009) 17: 1044-1054 [PMID:18487053] |
COX-2 /Cyclooxygenase-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL230] [GtoPdb: 1376] [UniProtKB: P35354] | ||||||||
ChEMBL | Inhibition of COX2 | B | 6.09 | pIC50 | 820 | nM | IC50 | Bioorg Med Chem (2009) 17: 1044-1054 [PMID:18487053] |
CYP1B1/Cytochrome P450 1B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4878] [GtoPdb: 1320] [UniProtKB: Q16678] | ||||||||
ChEMBL | Inhibition of recombinant human CYP1B1 expressed in supersomes coexpressing NADPH-CYP reductase using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by Lineweaver-Burk plot analysis | B | 6.04 | pKi | 910 | nM | Ki | Eur J Med Chem (2017) 135: 296-306 [PMID:28458135] |
ChEMBL | Inhibition of CYP1B1 (unknown origin) | B | 6.05 | pKi | 900 | nM | Ki | Medchemcomm (2011) 2: 402-405 |
ChEMBL | Inhibition of human recombinant CYP1B1 after 15 mins by 7-ethoxyresorufin-O-deethylation-based spectrofluorimetry | B | 5.85 | pIC50 | 1400 | nM | IC50 | Medchemcomm (2014) 5: 496-501 |
NLRP3/NACHT, LRR and PYD domains-containing protein 3 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3779755] [GtoPdb: 1770] [UniProtKB: Q8R4B8] | ||||||||
ChEMBL | Inhibition of NLRP3 inflammasome activation in LPS-stimulated mouse bone marrow-derived macrophages assessed as reduction in IL-1beta secretion preincubated for 30 mins followed by nigericin addition and measured after 30 mins by ELISA | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2021) 64: 13633-13657 [PMID:34506712] |
ABCB1/P-glycoprotein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183] | ||||||||
ChEMBL | Antiproliferative activity against MDR human HL60R cell line | F | 4.38 | pIC50 | 42000 | nM | IC50 | J Med Chem (2006) 49: 3012-3018 [PMID:16686543] |
Quinone reductase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3959] [UniProtKB: P16083] | ||||||||
ChEMBL | Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate | B | 5.29 | pIC50 | 5100 | nM | IC50 | Bioorg Med Chem (2013) 21: 6022-6037 [PMID:23953689] |
TRPA1/Transient receptor potential cation channel subfamily A member 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5160] [GtoPdb: 485] [UniProtKB: Q6RI86] | ||||||||
ChEMBL | Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of allyl isothiocyanate-induced increase of intracellular calcium level | B | 5.12 | pIC50 | 7500 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 899-902 [PMID:26750258] |
ChEMBL | Agonist activity at rat TRPA1 expressed in HEK293 cells assessed as induction of intracellular calcium level | B | 5.44 | pEC50 | 3600 | nM | EC50 | Bioorg Med Chem Lett (2016) 26: 899-902 [PMID:26750258] |
TRPV1/Vanilloid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4794] [GtoPdb: 507] [UniProtKB: Q8NER1] | ||||||||
ChEMBL | Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of allyl isothiocyanate-induced increase of intracellular calcium level | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 899-902 [PMID:26750258] |
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]