resveratrol [Ligand Id: 8741] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL165 (3,5,4'-Trihydroxy-trans-stilbene, BIA 6-512, BIA-6-512, Biofort, Ca 1201, Cuspidatin, (e)-5-(p-hydroxystyryl)resorcinol, (e)-resveratrol, Melinjo resveratrol 20, NSC-327430, Polygonin, Resveratrol, Resveratrol(e)-form, Resveratrol p 5, Resvida, Srt 501m, Trans-resveratrol) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| hydroxysteroid 11-beta dehydrogenase 1/11-beta-hydroxysteroid dehydrogenase 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2391] [GtoPdb: 2763] [UniProtKB: P16232] | ||||||||
| ChEMBL | Inhibition of rat 11beta-HSD1 in kidney microsomes incubated for 20 mins by HPLC analysis | B | 4.45 | pIC50 | 35200 | nM | IC50 | Eur J Med Chem (2020) 191: 112134-112134 [PMID:32088493] |
| acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303] | ||||||||
| ChEMBL | Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate pretreated for 15 mins followed by substrate addition measured for 2 mins by DTNB reagent based spectrophotometric method | B | 5.3 | pIC50 | >5000 | nM | IC50 | Eur J Med Chem (2017) 130: 139-153 [PMID:28242549] |
| aldo-keto reductase family 1 member B/Aldose reductase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2622] [GtoPdb: 2768] [UniProtKB: P07943] | ||||||||
| ChEMBL | Inhibition of rat lens aldose reductase using DL-glyceraldehyde as substrate after 30 mins by fluorescence microplate reader analysis | B | 4.6 | pIC50 | 25000 | nM | IC50 | Bioorg Med Chem (2012) 20: 832-840 [PMID:22209731] |
| α1D-adrenoceptor/Alpha-1d adrenergic receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL326] [GtoPdb: 24] [UniProtKB: P23944] | ||||||||
| ChEMBL | Noradrenaline induced vasorelaxant activity in intact rat aortic rings | F | 4.7 | pIC50 | 19950 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 257-261 [PMID:16275073] |
| Amyloid-beta A4 protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2487] [UniProtKB: P05067] | ||||||||
| ChEMBL | Binding affinity to amyloid beta (1 to 42) (unknown origin) by surface plasmon resonance assay | B | 4.41 | pKd | 38500 | nM | Kd | Bioorg Med Chem (2018) 26: 4693-4705 [PMID:30107970] |
| ChEMBL | Inhibition of Fe3+ induced of amyloid beta (1 to 42) aggregation (unknown origin) | B | 4.68 | pIC50 | 20730 | nM | IC50 | Eur J Med Chem (2023) 248: 115120-115120 [PMID:36682173] |
| ChEMBL | Inhibition of HFIP-treated Amyloid beta (1 to 42) (unknown origin) self aggregation incubated for 46 to 48 hrs by fluorescence based assay | B | 4.75 | pIC50 | 17900 | nM | IC50 | Eur J Med Chem (2022) 233: 114242-114242 [PMID:35276424] |
| ChEMBL | Inhibition of self-induced aggregation of amyloid beta (1 to 42) (unknown origin) after 48 hrs by thioflavin T-based fluorescence method | B | 4.77 | pIC50 | 16800 | nM | IC50 | Medchemcomm (2018) 9: 1862-1870 [PMID:30568754] |
| ChEMBL | Inhibition of amyloid beta (1 to 42) (unknown origin) self aggregation | B | 4.8 | pIC50 | 15990 | nM | IC50 | Eur J Med Chem (2023) 248: 115120-115120 [PMID:36682173] |
| ChEMBL | Inhibition of amyloid beta (1-42) self-mediated aggregation (unknown origin) after 5 days by thioflavin T fluorescence method | B | 4.8 | pIC50 | 15900 | nM | IC50 | Eur J Med Chem (2013) 66: 22-31 [PMID:23786711] |
| ChEMBL | Inhibition of HFIP-induced human recombinant amyloid beta (1 to 42 residues) aggregation expressed in Escherichia coli measured over 24 hrs by ThT-based fluorescence spectroscopic method | B | 4.82 | pIC50 | 15300 | nM | IC50 | Eur J Med Chem (2017) 126: 823-843 [PMID:27951490] |
| ChEMBL | Inhibition of self-mediated amyloid beta (1 to 42) aggregation (unknown origin) after 48 hrs by thioflavin T fluorescence assay | B | 4.82 | pIC50 | 15110 | nM | IC50 | J Med Chem (2013) 56: 5843-5859 [PMID:23799643] |
| ChEMBL | Inhibition of amyloid beta (1 to 42) (unknown origin) self aggregation incubated for 48 hrs by thioflavin-T fluorescence method | B | 4.87 | pIC50 | 13430 | nM | IC50 | Bioorg Med Chem Lett (2020) 30: 127659-127659 [PMID:33137375] |
| ChEMBL | Inhibition of HFIP-pretreated human amyloid beta (1 to 42) aggregation incubated for 24 hrs under dark condition by Thioflavin T dye based fluorometric analysis | B | 4.88 | pIC50 | 13150 | nM | IC50 | RSC Med Chem (2023) 14: 268-276 [PMID:36846369] |
| ChEMBL | Inhibition of HFIP-pretreated amyloid beta (1 to 42) (unknown origin) self-induced aggregation after 48 hrs by thioflavin T-based fluorometric assay | B | 4.91 | pIC50 | 12430 | nM | IC50 | Bioorg Med Chem (2018) 26: 3191-3201 [PMID:29729985] |
| ChEMBL | Inhibition of HFIP-pretreated amyloid beta (1 to 42) (unknown origin) self-induced aggregation incubated for 24 hrs under dark condition by thioflavin-T based fluorometric assay | B | 4.92 | pIC50 | 11890 | nM | IC50 | Eur J Med Chem (2017) 127: 174-186 [PMID:28061347] |
| ChEMBL | Inhibition of HFIP-pretreated amyloid beta (1 to 42) (unknown origin) self-induced aggregation after 24 hrs by thioflavin-T fluorescence assay | B | 4.92 | pIC50 | 11890 | nM | IC50 | Bioorg Med Chem (2018) 26: 5759-5765 [PMID:30360953] |
| ChEMBL | Inhibition of amyloid beta (1 to 42) (unknown origin) self aggregation assessed as disaggregation | B | 5.02 | pIC50 | 9620 | nM | IC50 | Eur J Med Chem (2023) 248: 115120-115120 [PMID:36682173] |
| ChEMBL | Inhibition of Cu2+ induced of amyloid beta (1 to 42) aggregation (unknown origin) | B | 5.04 | pIC50 | 9140 | nM | IC50 | Eur J Med Chem (2023) 248: 115120-115120 [PMID:36682173] |
| ChEMBL | Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis | B | 5.39 | pIC50 | 4100 | nM | IC50 | ACS Med Chem Lett (2016) 7: 502-507 [PMID:27190601] |
| ChEMBL | Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis | B | 5.59 | pIC50 | 2600 | nM | IC50 | ACS Med Chem Lett (2016) 7: 502-507 [PMID:27190601] |
| ChEMBL | Inhibition of HFIP-induced human recombinant amyloid beta (1 to 40 residues) aggregation expressed in Escherichia coli measured over 24 hrs by ThT-based fluorescence spectroscopic method | B | 5.96 | pIC50 | 1100 | nM | IC50 | Eur J Med Chem (2017) 126: 823-843 [PMID:27951490] |
| 5-LOX/Arachidonate 5-lipoxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL215] [GtoPdb: 1385] [UniProtKB: P09917] | ||||||||
| 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 | 5.31 | pIC50 | 4900 | nM | IC50 | Eur J Med Chem (2019) 180: 637-647 [PMID:31351395] |
| Aryl hydrocarbon receptor in Rabbit (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4725] [UniProtKB: O02747] | ||||||||
| ChEMBL | Binding affinity for aryl hydrocarbon receptor (AhR) of rabbit liver cytosol incubated with 0.2 nM [3H]-TCDD; Antagonist | B | 6.77 | pKi | 169 | nM | Ki | J Med Chem (2005) 48: 287-291 [PMID:15634023] |
| butyrylcholinesterase/Butyrylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1914] [GtoPdb: 2471] [UniProtKB: P06276] | ||||||||
| ChEMBL | Inhibition of human serum BuChE using butylthiocholine chloride as substrate pretreated for 15 mins followed by substrate addition measured for 2 mins by DTNB reagent based spectrophotometric method | B | 5.3 | pIC50 | >5000 | nM | IC50 | Eur J Med Chem (2017) 130: 139-153 [PMID:28242549] |
| Carbonic anhydrase 15 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5973] [UniProtKB: Q99N23] | ||||||||
| ChEMBL | Inhibition of mouse carbonic anhydrase 15 after 15 mins by stopped flow CO2 hydration method | B | 5.03 | pKi | 9360 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 5050-5053 [PMID:20674354] |
| carbonic anhydrase 1/Carbonic anhydrase I in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL261] [GtoPdb: 2597] [UniProtKB: P00915] | ||||||||
| ChEMBL | Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration method | B | 5.66 | pKi | 2210 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 5050-5053 [PMID:20674354] |
| carbonic anhydrase 2/Carbonic anhydrase II in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL205] [GtoPdb: 3092] [UniProtKB: P00918] | ||||||||
| ChEMBL | Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration method | B | 5.56 | pKi | 2770 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 5050-5053 [PMID:20674354] |
| Carbonic anhydrase III in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2885] [UniProtKB: P07451] | ||||||||
| ChEMBL | Inhibition of human carbonic anhydrase 3 after 15 mins by stopped flow CO2 hydration method | B | 5.04 | pKi | 9090 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 5050-5053 [PMID:20674354] |
| carbonic anhydrase 4/Carbonic anhydrase IV in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3729] [GtoPdb: 2599] [UniProtKB: P22748] | ||||||||
| ChEMBL | Inhibition of human carbonic anhydrase 4 after 15 mins by stopped flow CO2 hydration method | B | 5.35 | pKi | 4470 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 5050-5053 [PMID:20674354] |
| carbonic anhydrase 9/Carbonic anhydrase IX in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3594] [GtoPdb: 3055] [UniProtKB: Q16790] | ||||||||
| ChEMBL | Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration method | B | 6.09 | pKi | 810 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 5050-5053 [PMID:20674354] |
| carbonic anhydrase 5A/Carbonic anhydrase VA in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4789] [GtoPdb: 3093] [UniProtKB: P35218] | ||||||||
| ChEMBL | Inhibition of human carbonic anhydrase 5a after 15 mins by stopped flow CO2 hydration method | B | 5.32 | pKi | 4750 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 5050-5053 [PMID:20674354] |
| Carbonic anhydrase VB in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3969] [UniProtKB: Q9Y2D0] | ||||||||
| ChEMBL | Inhibition of human carbonic anhydrase 5b after 15 mins by stopped flow CO2 hydration method | B | 5.33 | pKi | 4640 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 5050-5053 [PMID:20674354] |
| Carbonic anhydrase VI in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3025] [UniProtKB: P23280] | ||||||||
| ChEMBL | Inhibition of human carbonic anhydrase 6 after 15 mins by stopped flow CO2 hydration method | B | 5.09 | pKi | 8070 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 5050-5053 [PMID:20674354] |
| carbonic anhydrase 7/Carbonic anhydrase VII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2326] [GtoPdb: 2749] [UniProtKB: P43166] | ||||||||
| ChEMBL | Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow CO2 hydration method | B | 5.36 | pKi | 4350 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 5050-5053 [PMID:20674354] |
| carbonic anhydrase 12/Carbonic anhydrase XII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570] | ||||||||
| ChEMBL | Inhibition of human carbonic anhydrase 12 after 15 mins by stopped flow CO2 hydration method | B | 6.02 | pKi | 950 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 5050-5053 [PMID:20674354] |
| carbonic anhydrase 13/Carbonic anhydrase XIII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3912] [GtoPdb: 2748] [UniProtKB: Q8N1Q1] | ||||||||
| ChEMBL | Inhibition of human carbonic anhydrase 13 after 15 mins by stopped flow CO2 hydration method | B | 5.39 | pKi | 4090 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 5050-5053 [PMID:20674354] |
| carbonic anhydrase 14/Carbonic anhydrase XIV in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3510] [GtoPdb: 2598] [UniProtKB: Q9ULX7] | ||||||||
| ChEMBL | Inhibition of human carbonic anhydrase 14 after 15 mins by stopped flow CO2 hydration method | B | 6.08 | pKi | 830 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 5050-5053 [PMID:20674354] |
| COX-1 /Cyclooxygenase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL221] [GtoPdb: 1375] [UniProtKB: P23219] | ||||||||
| ChEMBL | Inhibition of COX1 in human whole blood assessed as effect on A-23187-stimulated TxB2 production | B | 5.39 | pIC50 | 4120 | nM | IC50 | Bioorg Med Chem (2008) 16: 2697-2706 [PMID:18063374] |
| ChEMBL | Inhibition of COX1 assessed as TBX2 production in human whole blood | F | 5.55 | pIC50 | 2840 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 4440-4443 [PMID:16814546] |
| ChEMBL | Inhibition of COX1 | B | 5.96 | pIC50 | 1100 | nM | IC50 | J Nat Prod (2002) 65: 163-169 [PMID:11858749] |
| ChEMBL | Inhibition of COX1 | B | 6.08 | pIC50 | 830 | nM | IC50 | Bioorg Med Chem (2009) 17: 1044-1054 [PMID:18487053] |
| ChEMBL | DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid) | B | 6.2 | pIC50 | 625 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| Cyclooxygenase-1 in Sheep (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2949] [UniProtKB: P05979] | ||||||||
| ChEMBL | Binding affinity to COX1 in sheep seminal vesicle | B | 4.93 | pKd | 11700 | nM | Kd | J Nat Prod (2004) 67: 1777-1782 [PMID:15568761] |
| ChEMBL | Inhibition of cyclooxygenase activity of COX1 in sheep seminal vesicle in presence of 1 mM phenol by cyclooxygenase assay | B | 4.17 | pIC50 | 67300 | nM | IC50 | J Nat Prod (2004) 67: 1777-1782 [PMID:15568761] |
| ChEMBL | Inhibition of sheep seminal vesicles COX1 assessed as PGE2 production after 10 mins by ELISA | B | 5.18 | pIC50 | 6650 | nM | IC50 | J Med Chem (2010) 53: 5033-5043 [PMID:20527891] |
| ChEMBL | Inhibition of peroxidase activity of COX1 in heep seminal vesicle by TMPD assay | B | 5.55 | pIC50 | 2800 | nM | IC50 | J Nat Prod (2004) 67: 1777-1782 [PMID:15568761] |
| ChEMBL | Inhibition of ovine COX1 by measuring PGE2 | B | 6.27 | pIC50 | 535 | nM | IC50 | Bioorg Med Chem (2007) 15: 6109-6118 [PMID:17604631] |
| ChEMBL | Inhibition of ovine COX-1 using arachidonic acid as substrate assessed as PGE2 production preincubated for 10 mins followed by substrate addition incubated for 2 mins by ELISA | B | 6.27 | pIC50 | 535 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 1411-1415 [PMID:26850006] |
| ChEMBL | Inhibition of ovine COX1 | B | 6.42 | pIC50 | 380 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 4440-4443 [PMID:16814546] |
| COX-2 /Cyclooxygenase-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL230] [GtoPdb: 1376] [UniProtKB: P35354] | ||||||||
| ChEMBL | Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production | B | 4.46 | pIC50 | 34610 | nM | IC50 | Bioorg Med Chem (2008) 16: 2697-2706 [PMID:18063374] |
| ChEMBL | Inhibition of COX2 assessed as LPS-stimulated PGE2 production in human whole blood leukocyte | F | 4.48 | pIC50 | 33150 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 4440-4443 [PMID:16814546] |
| ChEMBL | Inhibition of COX2 | B | 4.49 | pIC50 | 32000 | nM | IC50 | J Nat Prod (2005) 68: 985-991 [PMID:16038536] |
| ChEMBL | Inhibition of recombinant human COX2 expressed in baculovirus assessed as reduction in PGE2 synthesis using [3H]arachidonic acid substrate by HPLC analysis | B | 5.3 | pIC50 | 5000 | nM | IC50 | Eur J Med Chem (2017) 142: 229-243 [PMID:28814374] |
| ChEMBL | Inhibition of COX2 | B | 5.89 | pIC50 | 1300 | nM | IC50 | J Nat Prod (2002) 65: 163-169 [PMID:11858749] |
| ChEMBL | Inhibition of human recombinant COX-2 using arachidonic acid as substrate assessed as PGE2 production preincubated for 10 mins followed by substrate addition incubated for 2 mins by ELISA | B | 6 | pIC50 | 996 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 1411-1415 [PMID:26850006] |
| ChEMBL | Inhibition of human recombinant COX2 by measuring PGE2 | B | 6 | pIC50 | 996 | nM | IC50 | Bioorg Med Chem (2007) 15: 6109-6118 [PMID:17604631] |
| ChEMBL | Inhibition of COX2 | B | 6 | pIC50 | 990 | nM | IC50 | Bioorg Med Chem (2009) 17: 1044-1054 [PMID:18487053] |
| GtoPdb | - | - | 6.12 | pIC50 | 750 | nM | IC50 | J Med Chem (2010) 53: 5033-43 [PMID:20527891] |
| ChEMBL | Inhibition of human recombinant COX2 assessed as PGE2 production after 10 mins by ELISA | B | 6.12 | pIC50 | 750 | nM | IC50 | J Med Chem (2010) 53: 5033-5043 [PMID:20527891] |
| Cyclooxygenase-2 in Sheep (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4102] [UniProtKB: P79208] | ||||||||
| ChEMBL | Inhibition of ovine COX2 | B | 5.46 | pIC50 | 3490 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 4440-4443 [PMID:16814546] |
| CYP19A1/Cytochrome P450 19A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1978] [GtoPdb: 1362] [UniProtKB: P11511] | ||||||||
| ChEMBL | Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michaelis-Menten and Dixon plot analysis | B | 4.38 | pKi | 41670 | nM | Ki | Bioorg Med Chem (2012) 20: 2427-2434 [PMID:22386564] |
| ChEMBL | Inhibition of human aromatase using dibenzylfluorescein as a substrate preincubated with NADPH regenerating system for 10 mins followed by substrate addition incubated for 30 mins by fluorescence based analysis | B | 4.1 | pIC50 | 80000 | nM | IC50 | Eur J Med Chem (2021) 224: 113737-113737 [PMID:34365129] |
| ChEMBL | Inhibition of human aromatase activity after 30 mins by fluorescence analysis | B | 4.6 | pIC50 | 25400 | nM | IC50 | Bioorg Med Chem (2012) 20: 7030-7039 [PMID:23142320] |
| ChEMBL | Inhibition of human aromatase using ASD as substrate pre-incubated for 5 mins followed by substrate addition and measured after 16 hrs by UV/vis-spectrophotometry | B | 4.6 | pIC50 | 25003.45 | nM | IC50 | Eur J Med Chem (2017) 137: 365-438 [PMID:28622580] |
| ChEMBL | Inhibition of aromatase (unknown origin) | B | 4.6 | pIC50 | 25000 | nM | IC50 | Bioorg Med Chem (2018) 26: 1986-1995 [PMID:29525337] |
| ChEMBL | Inhibition of human aromatase using dibenzylfluorescein substrate preincubated for 30 mins measured after 30 mins by fluorescence assay | B | 4.6 | pIC50 | 25000 | nM | IC50 | Bioorg Med Chem (2012) 20: 2427-2434 [PMID:22386564] |
| ChEMBL | Inhibition of human aromatase using dibenzylfluorescein as substrate preincubated for 30 mins measured after 2 hrs by fluorimetry | B | 4.6 | pIC50 | 25000 | nM | IC50 | Bioorg Med Chem (2012) 20: 510-520 [PMID:22115839] |
| ChEMBL | Inhibition of human Aromatase | B | 4.65 | pIC50 | 22500 | nM | IC50 | Eur J Med Chem (2020) 200: 112356-112356 [PMID:32485531] |
| CYP1A1/Cytochrome P450 1A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2231] [GtoPdb: 1318] [UniProtKB: P04798] | ||||||||
| ChEMBL | Inhibition of recombinant human CYP1A1 expressed in Escherichia coli DH5aplha cells assessed as O-deethylation of ethoxyresorufin in presence of NADPH measured after 2 mins by spectrofluorometric method | B | 4.47 | pIC50 | 34000 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 3243-3247 [PMID:27265259] |
| CYP1A2/Cytochrome P450 1A2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3356] [GtoPdb: 1319] [UniProtKB: P05177] | ||||||||
| ChEMBL | DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | B | 5.52 | pIC50 | 3000 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| CYP1B1/Cytochrome P450 1B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4878] [GtoPdb: 1320] [UniProtKB: Q16678] | ||||||||
| ChEMBL | Inhibition of recombinant CYP1B1 (unknown origin) expressed in supersomes coexpressing NADPH-CYP reductase using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by fluorescence spectrophotometric analysis | B | 4.95 | pKi | 11200 | nM | Ki | Eur J Med Chem (2017) 135: 296-306 [PMID:28458135] |
| 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 | 6.1 | pKi | 800 | nM | Ki | Eur J Med Chem (2017) 135: 296-306 [PMID:28458135] |
| ChEMBL | Mixed type inhibition of human CYP1B1 by EROD assay | B | 6.12 | pKi | 750 | nM | Ki | Eur J Med Chem (2019) 163: 28-36 [PMID:30503941] |
| ChEMBL | Inhibition of recombinant human CYP1B1 expressed in Escherichia coli DH5aplha cells assessed as O-deethylation of ethoxyresorufin in presence of NADPH measured after 2 mins by spectrofluorometric method | B | 4.26 | pIC50 | 55000 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 3243-3247 [PMID:27265259] |
| ChEMBL | Inhibition of human CYP1B1 by EROD assay | B | 5.85 | pIC50 | 1400 | nM | IC50 | Eur J Med Chem (2019) 163: 28-36 [PMID:30503941] |
| CYP2C19/Cytochrome P450 2C19 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3622] [GtoPdb: 1328] [UniProtKB: P33261] | ||||||||
| ChEMBL | DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | B | 5.52 | pIC50 | 3000 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| CYP2C9/Cytochrome P450 2C9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3397] [GtoPdb: 1326] [UniProtKB: P11712] | ||||||||
| ChEMBL | DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | B | 5.15 | pIC50 | 7000 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| CYP3A4/Cytochrome P450 3A4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL340] [GtoPdb: 1337] [UniProtKB: P08684] | ||||||||
| ChEMBL | DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin) | B | 6.22 | pIC50 | 600 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| dipeptidyl peptidase 4/Dipeptidyl peptidase IV in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL284] [GtoPdb: 1612] [UniProtKB: P27487] | ||||||||
| ChEMBL | Inhibition of DPP4 (unknown origin) using Gly-Pro-AMC as substrate preincubated for 4 secs followed by substrate addition and measured after 30 mins by luminescence assay | B | 9.22 | pIC50 | 0.6 | nM | IC50 | Eur J Med Chem (2018) 151: 145-157 [PMID:29609120] |
| DNA polymerase alpha subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1828] [UniProtKB: P09884] | ||||||||
| ChEMBL | Inhibition of human DNA polymerase-alpha (unknown origin) | B | 5.48 | pIC50 | 3300 | nM | IC50 | J Med Chem (2020) 63: 10135-10157 [PMID:32324396] |
| Estrogen receptor-α/Estrogen receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL206] [GtoPdb: 620] [UniProtKB: P03372] | ||||||||
| ChEMBL | Binding affinity for estrogen receptor (ER) alpha of MCF-7 cell cytosol incubated with 2 nM [3H]estradiol; Agonist | B | 6.11 | pKi | 785 | nM | Ki | J Med Chem (2005) 48: 287-291 [PMID:15634023] |
| 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 | 5.88 | pIC50 | 1331 | nM | IC50 | HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activators |
| Leukotriene A4 hydrolase/Leukotriene A4 hydrolase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4618] [GtoPdb: 1395] [UniProtKB: P09960] | ||||||||
| ChEMBL | Inhibition of peptidase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE | B | 3.44 | pIC50 | 366000 | nM | IC50 | J Med Chem (2009) 52: 4694-4715 [PMID:19618939] |
| ChEMBL | Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE assessed as LTB4 formation by tandem quadrupole mass spectrometry | B | 3.67 | pIC50 | 212000 | nM | IC50 | J Med Chem (2009) 52: 4694-4715 [PMID:19618939] |
| Luciferin 4-monooxygenase in Photinus pyralis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5567] [UniProtKB: P08659] | ||||||||
| ChEMBL | Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay | B | 7.23 | pIC50 | 58.88 | nM | IC50 | J Med Chem (2013) 56: 1064-1073 [PMID:23286196] |
| CD38/Lymphocyte differentiation antigen CD38 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4660] [GtoPdb: 2766] [UniProtKB: P28907] | ||||||||
| ChEMBL | Inhibition of human CD38 using 20 uM 1, N6-etheno NAD+ as substrate by continuous fluorimetric method | B | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 3939-3942 [PMID:21641214] |
| lysine demethylase 1A/Lysine-specific histone demethylase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6136] [GtoPdb: 2669] [UniProtKB: O60341] | ||||||||
| ChEMBL | Inhibition of recombinant LSD1 (unknown origin) incubated for 1 hr | B | 4.82 | pIC50 | 15000 | nM | IC50 | Eur J Med Chem (2022) 240: 114564-114564 [PMID:35820351] |
| ChEMBL | Inhibition of recombinant full length LSD1 (unknown origin) expressed in Escherichia coli BL21 (DE) using H3K4me2 substrate by fluorescence assay | B | 4.99 | pIC50 | 10200 | nM | IC50 | Eur J Med Chem (2017) 126: 246-258 [PMID:27888721] |
| ChEMBL | Inhibition of LSD1 (unknown origin) demethylase activity using histone as substrate by fluorometric analysis | B | 4.99 | pIC50 | 10200 | nM | IC50 | J Med Chem (2021) 64: 2466-2488 [PMID:33619958] |
| Monoamine oxidase A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1951] [GtoPdb: 2489] [UniProtKB: P21397] | ||||||||
| ChEMBL | Inhibition of human recombinant MAO-A incubated for 15 mins by Amplex red MAO assay | B | 4.73 | pIC50 | 18630 | nM | IC50 | Eur J Med Chem (2022) 233: 114242-114242 [PMID:35276424] |
| ChEMBL | Inhibition of human MAO-A using p-tyramine as substrate after 15 mins by amplex red assay | B | 4.76 | pIC50 | 17410 | nM | IC50 | Medchemcomm (2014) 5: 609-616 |
| ChEMBL | Inhibition of human MAO-A preincubated for 15 mins followed by p-tyramine substrate addition and measured after 20 mins by Amplex red reagent based fluorescence assay | B | 4.8 | pIC50 | 15700 | nM | IC50 | Eur J Med Chem (2019) 163: 307-319 [PMID:30529634] |
| ChEMBL | Inhibition of human recombinant MAO-A by fluorescence assay | B | 5.34 | pIC50 | 4540 | nM | IC50 | J Med Chem (2022) 65: 4727-4751 [PMID:35245051] |
| ChEMBL | DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine) | B | 6.35 | pIC50 | 449 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| Monoamine oxidase B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2039] [GtoPdb: 2490] [UniProtKB: P27338] | ||||||||
| ChEMBL | Inhibition of human recombinant MAO-B incubated for 15 mins by Amplex red MAO assay | B | 4.5 | pIC50 | 31800 | nM | IC50 | Eur J Med Chem (2022) 233: 114242-114242 [PMID:35276424] |
| ChEMBL | Inhibition of human recombinant MAO-B using tyramine as substrate by fluorescence assay | B | 4.52 | pIC50 | 29900 | nM | IC50 | J Med Chem (2022) 65: 4727-4751 [PMID:35245051] |
| ChEMBL | Inhibition of human MAO-B using p-tyramine as substrate after 15 mins by amplex red assay | B | 4.53 | pIC50 | 29370 | nM | IC50 | Medchemcomm (2014) 5: 609-616 |
| ChEMBL | Inhibition of human MAO-B preincubated for 15 mins followed by p-tyramine substrate addition and measured after 20 mins by Amplex red reagent based fluorescence assay | B | 5.3 | pIC50 | 5010 | nM | IC50 | Eur J Med Chem (2019) 163: 307-319 [PMID:30529634] |
| Myc proto-oncogene protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1250348] [UniProtKB: P01106] | ||||||||
| ChEMBL | Inhibition of Myc signaling pathway in human HeLa cells assessed as inhibition of PMA induced luciferase treated 30 mins before induction | B | 4.22 | pIC50 | 60000 | nM | IC50 | J Nat Prod (2013) 76: 679-684 [PMID:23547843] |
| N1L in Vaccinia virus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075128] [UniProtKB: Q49PX0] | ||||||||
| ChEMBL | Displacement of FITC-conjugated BH3-Bak peptide from Vaccinia virus recombinant N1L expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay | B | 4.66 | pIC50 | 21900 | nM | IC50 | J Med Chem (2010) 53: 3899-3906 [PMID:20441222] |
| ChEMBL | Displacement of FITC-conjugated BH3-Bak peptide from 1 uM Vaccinia virus recombinant N1L expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay | B | 4.66 | pIC50 | 21900 | nM | IC50 | J Med Chem (2010) 53: 3899-3906 [PMID:20441222] |
| sirtuin 1/NAD-dependent deacetylase sirtuin 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4506] [GtoPdb: 2707] [UniProtKB: Q96EB6] | ||||||||
| ChEMBL | Activation of SIRT1 R446A mutant (unknown origin) | B | 4.06 | pEC50 | 87200 | nM | EC50 | J Med Chem (2013) 56: 761-780 [PMID:23316803] |
| ChEMBL | Activation of human SIRT1 expressed in Escherichia coli BL21 by mass spectrometry assay | B | 4.34 | pEC50 | 46200 | nM | EC50 | Nature (2007) 450: 712-716 [PMID:18046409] |
| ChEMBL | Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-AMC as substrate after 45 mins by fluorometric analysis | B | 4.63 | pEC50 | 23600 | nM | EC50 | J Med Chem (2013) 56: 761-780 [PMID:23316803] |
| sirtuin 3/NAD-dependent deacetylase sirtuin 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4461] [GtoPdb: 2709] [UniProtKB: Q9NTG7] | ||||||||
| ChEMBL | Activation of recombinant human SIRT3 assessed as lysyl deacetylase activity using (Gln-Pro-Lys-Lys(Ac)) peptide substrate by fluorescent assay | B | 4.26 | pEC50 | 55190 | nM | EC50 | J Med Chem (2021) 64: 14192-14216 [PMID:34605238] |
| Inducible NOS/Nitric oxide synthase, inducible in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3464] [GtoPdb: 1250] [UniProtKB: P29477] | ||||||||
| ChEMBL | Inhibition of iNOS in LPS-stimulated mouse RAW264.7 cells after 18 hrs | B | 4.63 | pIC50 | 23200 | nM | IC50 | Bioorg Med Chem (2012) 20: 2427-2434 [PMID:22386564] |
| ChEMBL | Inhibition of LPS-induced iNOS activity in mouse RAW 264.7 cells assessed as inhibition of NO production pretreated with compound for 30 mins before LPS challenge after 24 hrs by Griess reagent method | B | 4.63 | pIC50 | 23200 | nM | IC50 | Bioorg Med Chem (2012) 20: 7030-7039 [PMID:23142320] |
| ChEMBL | Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 30 mins before LPS challenge measured after 20 hrs by Griess reaction method relative to control | B | 4.82 | pIC50 | 15000 | nM | IC50 | J Med Chem (2010) 53: 5033-5043 [PMID:20527891] |
| NET/Norepinephrine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL222] [GtoPdb: 926] [UniProtKB: P23975] | ||||||||
| ChEMBL | DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55) | B | 5.64 | pKi | 2293 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55) | B | 5.64 | pIC50 | 2312 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| nuclear factor, erythroid 2 like 2/Nuclear factor erythroid 2-related factor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075094] [GtoPdb: 3057] [UniProtKB: Q16236] | ||||||||
| ChEMBL | Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay | B | 5.27 | pEC50 | 5400 | nM | EC50 | Bioorg Med Chem (2017) 25: 1423-1430 [PMID:28126440] |
| nuclear factor kappa B subunit 1/nuclear factor kappa B subunit 2/RELA proto-oncogene, NF-kB subunit/Nuclear factor NF-kappa-B complex in Human (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL2094258] [GtoPdb: 3281, 3282, 3280] [UniProtKB: P19838, Q00653, Q04206] | ||||||||
| ChEMBL | Inhibition of TNF-alpha-induced NF-kappaB activity in HEK293 cells after 6 hrs by luciferase reporter gene assay | B | 5.6 | pIC50 | 2500 | nM | IC50 | J Nat Prod (2014) 77: 1644-1649 [PMID:24992702] |
| RELA proto-oncogene, NF-kB subunit/Nuclear factor NF-kappa-B p65 subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5533] [GtoPdb: 3280] [UniProtKB: Q04206] | ||||||||
| ChEMBL | Inhibition Assay: The actual target(s) whereby the most active substituted trans-stilbenes inhibit the TNFα-induced activation of NF-κB remains to be identified. Resveratrol has been shown to suppress the TNF-induced phosphorylation and nuclear translocation of the p65 subunit of NF-κB.38 Both IKKα and IKKβ are able to catalyze the phosphorylation of p65, although through different signaling pathways,39 and are potential targets. Likewise, one or more of the kinases that activate IKK by phosphorylation, in response to TNFα or to the numerous other activators of NF-κB,35 may be the targets. | B | 4.7 | pIC50 | 20000 | nM | IC50 | US-8980954-B2. Substituted cis- and trans-stilbenes as therapeutic agents (2015) |
| Ornithine decarboxylase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1869] [GtoPdb: 1276] [UniProtKB: P11926] | ||||||||
| ChEMBL | Inhibition of phorbol ester-induced ornithine decarboxylase in human MCF7 cells after 6 hrs | B | 4.72 | pIC50 | 19000 | nM | IC50 | J Nat Prod (1999) 62: 205-210 [PMID:10075742] |
| Peroxisome proliferator-activated receptor-γ/Peroxisome proliferator-activated receptor gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL235] [GtoPdb: 595] [UniProtKB: P37231] | ||||||||
| GtoPdb | - | - | 5.85 | pKd | 1400 | nM | Kd | Chembiochem (2014) 15: 1154-60 [PMID:24796862] |
| ChEMBL | Agonist activity at PPARgamma in human BMMSC cells assessed as promotion of adiponectin secretion by measuring increase in adiponectin level in presence of IDX medium by ELISA | B | 4.11 | pEC50 | 77100 | nM | EC50 | J Nat Prod (2023) 86: 138-148 [PMID:36529937] |
| 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 | 4.22 | pIC50 | 60000 | nM | IC50 | J Med Chem (2006) 49: 3012-3018 [PMID:16686543] |
| phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha/PI3-kinase p110-alpha subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4005] [GtoPdb: 2153] [UniProtKB: P42336] | ||||||||
| ChEMBL | Displacement of ATP in PI3Kalpha (unknown origin) by cell based assay | B | 6.6 | pIC50 | 250 | nM | IC50 | Medchemcomm (2012) 3: 1337-1355 |
| phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit beta/PI3-kinase p110-beta subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3145] [GtoPdb: 2154] [UniProtKB: P42338] | ||||||||
| ChEMBL | Displacement of ATP in PI3Kbeta (unknown origin) by cell based assay | B | 6.3 | pIC50 | 500 | nM | IC50 | Medchemcomm (2012) 3: 1337-1355 |
| Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
| ChEMBL | Antimalarial activity against Plasmodium falciparum | F | 4.22 | pIC50 | 60000 | nM | IC50 | J Med Chem (2017) 60: 4780-4804 [PMID:28241112] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay | F | 4.9 | pIC50 | 12589.25 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR green assay | F | 5 | pIC50 | 10000 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
| protein tyrosine phosphatase non-receptor type 1/Protein-tyrosine phosphatase 1B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL335] [GtoPdb: 2976] [UniProtKB: P18031] | ||||||||
| ChEMBL | Inhibition of PTP1B (unknown origin) assessed as decrease in p-nitrophenolate formation using using pNPP as substrate incubated for 15 mins by spectrophotometric method | B | 4.3 | pIC50 | >50000 | nM | IC50 | J Nat Prod (2020) 83: 323-332 [PMID:31944695] |
| Quinone reductase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3959] [UniProtKB: P16083] | ||||||||
| ChEMBL | Binding affinity to human quinone reductase 2 by ITC analysis | B | 7.27 | pKd | 54 | nM | Kd | Bioorg Med Chem (2013) 21: 6022-6037 [PMID:23953689] |
| ChEMBL | Competitive inhibition of human quinone reductase 2 using menadione/N-methyldihydronicotinamide as substrate after 10 mins by double-reciprocal plot analysis | B | 7.06 | pKi | 88 | nM | Ki | Bioorg Med Chem (2013) 21: 6022-6037 [PMID:23953689] |
| ChEMBL | Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate | B | 5.16 | pIC50 | 6900 | nM | IC50 | Bioorg Med Chem (2013) 21: 6022-6037 [PMID:23953689] |
| ChEMBL | Inhibition of human recombinant NQO2 using DCPIPas substrate and NRH as cofactor measured for 1 min by spectrophotometry in the prsence of BSA | B | 5.85 | pIC50 | 1400 | nM | IC50 | Eur J Med Chem (2016) 111: 33-45 [PMID:26854376] |
| ChEMBL | Inhibition of human recombinant NQO2 | B | 6 | pIC50 | 1000 | nM | IC50 | J Med Chem (2022) 65: 4783-4797 [PMID:35290041] |
| ChEMBL | Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) assessed as N-methyldihydronicotinamide oxidation per mg of protein after 1 hr by LC-MS analysis analysis | B | 6.02 | pIC50 | 960 | nM | IC50 | J Nat Prod (2011) 74: 129-136 [PMID:21261296] |
| ChEMBL | Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) incubated at 23 degC by MTT assay | B | 6.02 | pIC50 | 960 | nM | IC50 | J Med Chem (2009) 52: 1873-1884 [PMID:19265439] |
| ChEMBL | Inhibition of human recombinant NQO2 using DCPIPas substrate and NRH as cofactor measured for 1 min by spectrophotometry in the absence of BSA | B | 6.04 | pIC50 | 913 | nM | IC50 | Eur J Med Chem (2016) 111: 33-45 [PMID:26854376] |
| ChEMBL | Inhibition of recombinant human NQO2 assessed as change in rate of decolouration of DCPIP measured over 1 min by spectrophotometric method | B | 6.04 | pIC50 | 913 | nM | IC50 | Bioorg Med Chem Lett (2018) 28: 1292-1297 [PMID:29567345] |
| ChEMBL | Inhibition of recombinant human NQO2 expressed in Escherichia coli using DCPIP as substrate by spectrophotometry | B | 6.05 | pIC50 | 900 | nM | IC50 | Eur J Med Chem (2019) 182: 111649-111649 [PMID:31514018] |
| ChEMBL | Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry | B | 6.35 | pIC50 | 450 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 2832-2836 [PMID:20356739] |
| ChEMBL | Inhibition of human recombinant NQO2 by spectrophotometry | B | 6.35 | pIC50 | 450 | nM | IC50 | Bioorg Med Chem (2010) 18: 696-706 [PMID:20036559] |
| p21 (RAC1) activated kinase 1/Serine/threonine-protein kinase PAK 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4600] [GtoPdb: 2133] [UniProtKB: Q13153] | ||||||||
| ChEMBL | Inhibition of recombinant human PAK1 by ADP-Glo kinase assay | B | 4.82 | pIC50 | 15000 | nM | IC50 | Eur J Med Chem (2017) 142: 229-243 [PMID:28814374] |
| squalene synthase /Squalene synthetase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3815] [GtoPdb: 645] [UniProtKB: Q02769] | ||||||||
| ChEMBL | Inhibition of SQS in rat microsomes using [3H]-FPP as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by scintillation counting | B | 4.3 | pIC50 | >50000 | nM | IC50 | Eur J Med Chem (2017) 138: 748-760 [PMID:28728107] |
| Telomerase reverse transcriptase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2916] [UniProtKB: O14746] | ||||||||
| ChEMBL | Inhibition of telomerase extracted from human MCF7 cells after 24 to 48 hrs by TRAP assay | B | 4.07 | pIC50 | 85000 | nM | IC50 | Medchemcomm (2011) 2: 229-245 |
| TRPA1/Transient receptor potential cation channel subfamily A member 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6007] [GtoPdb: 485] [UniProtKB: O75762] | ||||||||
| ChEMBL | Inhibition of human TRPA1 expressed in HEK293 cells assessed as decrease in AITC-induced calcium influx preincubated for 6 mins followed by AITC addition measured for 1 min by Fluo-4 dye-based assay | B | 4.52 | pIC50 | >30000 | nM | IC50 | Bioorg Med Chem Lett (2017) 27: 3167-3172 [PMID:28576617] |
| ChEMBL | Inhibition of human TRPA1 expressed in HEK293 cells assessed as decrease in AITC-induced current response by whole cell patch clamp method | B | 6.12 | pIC50 | 750 | nM | IC50 | Bioorg Med Chem Lett (2017) 27: 3167-3172 [PMID:28576617] |
| 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 | 4.7 | pIC50 | 19900 | 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 in presence of AITC | B | 5.56 | pIC50 | 2740 | 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 in absence of AITC | B | 5.85 | pIC50 | 1400 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 899-902 [PMID:26750258] |
| ChEMBL | Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced increase of intracellular calcium level | B | 6.12 | pIC50 | 750 | nM | IC50 | 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 | 5.82 | pKd | 1500 | 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 | 5.85 | pKd | 1400 | nM | Kd | J Med Chem (2023) 66: 15511-15523 [PMID:37910439] |
| ChEMBL | Competitive binding affinity to human wild type TTR expressed in Escherichia coli BL-21 assessed as equilibrium dissociation constant of second site in presence of ANS by spectrofluorometer | B | 6.33 | pKd | 470 | nM | Kd | J Med Chem (2017) 60: 7820-7834 [PMID:28920684] |
| 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 | 5.57 | pKi | 2700 | nM | Ki | J Med Chem (2023) 66: 15511-15523 [PMID:37910439] |
| Tyrosinase in Agaricus bisporus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3318] [UniProtKB: O42713] | ||||||||
| ChEMBL | Inhibition of mushroom tyrosinase | B | 4.25 | pIC50 | 55610 | nM | IC50 | Bioorg Med Chem Lett (2007) 17: 461-464 [PMID:17064896] |
| ChEMBL | Inhibition of mushroom tyrosinase | B | 4.25 | pIC50 | 55610 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 4882-4884 [PMID:20619644] |
| ChEMBL | Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 30 mins by spectrophotometric analysis | B | 4.57 | pIC50 | 26630 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 7451-7455 [PMID:23142612] |
| tyrosinase/Tyrosinase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1973] [GtoPdb: 2643] [UniProtKB: P14679] | ||||||||
| ChEMBL | Inhibition of human tyrosinase expressed in HEK293 cells | B | 5.05 | pIC50 | 9000 | nM | IC50 | J Med Chem (2020) 63: 13428-13443 [PMID:32787103] |
| ChEMBL | Inhibition of human tyrosinase expressed in HEK293 cells using L-tyrosine and DOPA as substrate by absorbance method | B | 5.77 | pIC50 | 1700 | nM | IC50 | J Med Chem (2020) 63: 13428-13443 [PMID:32787103] |
| TAS2R14 in Human [GtoPdb: 668] [UniProtKB: Q9NYV8] | ||||||||
| GtoPdb | - | - | 4.52 | pEC50 | 30300 | nM | EC50 | J Agric Food Chem (2013) 61: 10454-66 [PMID:24117141] |
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]
