pterostilbene [Ligand Id: 2681] activity data from GtoPdb and ChEMBL
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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 |
|---|---|---|---|---|---|---|---|---|
| 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 recombinant human 5-LOX using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by ELISA | B | 5.79 | pIC50 | 1630 | nM | IC50 | Eur J Med Chem (2021) 225: 113804-113804 [PMID:34479036] |
| 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 recombinant human COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 20 mins by ELISA | B | 5.22 | pIC50 | 5990 | nM | IC50 | Eur J Med Chem (2021) 225: 113804-113804 [PMID:34479036] |
| 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 |
| histone deacetylase 6/Histone deacetylase 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1865] [GtoPdb: 2618] [UniProtKB: Q9UBN7] | ||||||||
| ChEMBL | Determination of IC50 values for inhibition of enzymatic assay of human HDAC6 with custom peptide substrate | B | 6.26 | pIC50 | 550.5 | nM | IC50 | HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activators |
| 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] |
| transthyretin/Transthyretin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3194] [GtoPdb: 2851] [UniProtKB: P02766] | ||||||||
| ChEMBL | Binding affinity to N-terminal hexa-histidine tagged TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as dissociation constant at 60 uM by ITC assay | B | 5.34 | pKd | 4600 | nM | Kd | J Med Chem (2023) 66: 15511-15523 [PMID:37910439] |
| ChEMBL | Binding affinity to recombinant N-terminal hexa-histidine tagged TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as quenching of intrinsic tryptophan fluorescence by measuring apparent dissociation constant incubated for 60 mins by fluorescence based analysis | B | 5.72 | pKd | 1900 | nM | Kd | J Med Chem (2023) 66: 15511-15523 [PMID:37910439] |
| ChEMBL | Inhibition of recombinant N-terminal hexa-histidine tagged TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as acid mediated amyloid-like fibril formation by measuring turbidity incubated for 1 week at 310K in presence of sodium acetate by absorbance based assay | B | 5.46 | pKi | 3500 | nM | Ki | J Med Chem (2023) 66: 15511-15523 [PMID:37910439] |
| 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 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]
