ellagic acid [Ligand Id: 13035] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL6246 (Acide ellagique, Acido elagico, Benzoaric acid, Ellagic acid, NSC-407286, NSC-656272) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Ecto-5'-Nucleotidase/5`-nucleotidase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5957] [GtoPdb: 1232] [UniProtKB: P21589] | ||||||||
| ChEMBL | Inhibition of human CD73 | B | 5.73 | pIC50 | 1850 | nM | IC50 | Bioorg Med Chem Lett (2021) 34: 127758-127758 [PMID:33359608] |
| Ecto-5'-Nucleotidase/5`-nucleotidase in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4680034] [GtoPdb: 1232] [UniProtKB: Q61503] | ||||||||
| ChEMBL | Inhibition of mouse CD73 | B | 7.4 | pIC50 | 40 | nM | IC50 | Bioorg Med Chem Lett (2021) 34: 127758-127758 [PMID:33359608] |
| aldo-keto reductase family 1 member B/Aldose reductase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1900] [GtoPdb: 2768] [UniProtKB: P15121] | ||||||||
| ChEMBL | Inhibition of human recombinant aldose reductase using D-glyceraldehyde as substrate preincubated for 10 mins before substrate addition measured for every 10 secs for 50 mins by spectrophotometry | B | 6.7 | pIC50 | 200 | nM | IC50 | Bioorg Med Chem (2012) 20: 1251-1258 [PMID:22261024] |
| aldo-keto reductase family 1 member B/Aldose reductase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2622] [GtoPdb: 2768] [UniProtKB: P07943] | ||||||||
| ChEMBL | Inhibition of Rattus norvegicus (rat) lens aldose reductase | B | 6.7 | pIC50 | 199.53 | nM | IC50 | Med Chem Res (2012) 21: 1665-1676 |
| Amyloid-beta A4 protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2487] [UniProtKB: P05067] | ||||||||
| ChEMBL | Inhibition of beta amyloid (unknown origin) after 12 to 24 hrs | B | 4 | pIC50 | 100000 | nM | IC50 | Eur J Med Chem (2019) 183: 111724-111724 [PMID:31563012] |
| beta-secretase 1/Beta-secretase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4822] [GtoPdb: 2330] [UniProtKB: P56817] | ||||||||
| ChEMBL | Inhibition of BACE1 (unknown origin) | B | 5.41 | pIC50 | 3900 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 2945-2948 [PMID:24835197] |
| 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 preincubated for 6 hrs by CO2 hydration stopped-flow assay | B | 4.17 | pKi | 68200 | nM | Ki | Bioorg Med Chem (2013) 21: 1539-1543 [PMID:22892213] |
| ChEMBL | Inhibition of human CA1 by stopped-flow CO2 hydration assay | B | 5.63 | pKi | 2320 | nM | Ki | Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318] |
| 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 preincubated for 6 hrs by CO2 hydration stopped-flow assay | B | 4 | pKi | >100000 | nM | Ki | Bioorg Med Chem (2013) 21: 1539-1543 [PMID:22892213] |
| ChEMBL | Inhibition of human CA2 by stopped-flow CO2 hydration assay | B | 5.66 | pKi | 2180 | nM | Ki | Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318] |
| Carbonic anhydrase III in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2885] [UniProtKB: P07451] | ||||||||
| ChEMBL | Inhibition of human CA3 by stopped-flow CO2 hydration assay | B | 4.98 | pKi | 10500 | nM | Ki | Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318] |
| carbonic anhydrase 4/Carbonic anhydrase IV in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3729] [GtoPdb: 2599] [UniProtKB: P22748] | ||||||||
| ChEMBL | Inhibition of human CA4 by stopped-flow CO2 hydration assay | B | 5.04 | pKi | 9080 | nM | Ki | Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318] |
| 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 preincubated for 6 hrs by CO2 hydration stopped-flow assay | B | 4.1 | pKi | 79800 | nM | Ki | Bioorg Med Chem (2013) 21: 1539-1543 [PMID:22892213] |
| ChEMBL | Inhibition of human CA9 by stopped-flow CO2 hydration assay | B | 5.03 | pKi | 9370 | nM | Ki | Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318] |
| carbonic anhydrase 5A/Carbonic anhydrase VA in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4789] [GtoPdb: 3093] [UniProtKB: P35218] | ||||||||
| ChEMBL | Inhibition of human CA5A by stopped-flow CO2 hydration assay | B | 5.12 | pKi | 7590 | nM | Ki | Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318] |
| Carbonic anhydrase VB in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3969] [UniProtKB: Q9Y2D0] | ||||||||
| ChEMBL | Inhibition of human CA5B by stopped-flow CO2 hydration assay | B | 4.9 | pKi | 12700 | nM | Ki | Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318] |
| Carbonic anhydrase VI in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3025] [UniProtKB: P23280] | ||||||||
| ChEMBL | Inhibition of human CA6 by stopped-flow CO2 hydration assay | B | 5.15 | pKi | 7060 | nM | Ki | Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318] |
| 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 preincubated for 6 hrs by CO2 hydration stopped-flow assay | B | 5.06 | pKi | 8790 | nM | Ki | Bioorg Med Chem (2013) 21: 1539-1543 [PMID:22892213] |
| ChEMBL | Inhibition of human CA7 by stopped-flow CO2 hydration assay | B | 5.2 | pKi | 6320 | nM | Ki | Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318] |
| carbonic anhydrase 12/Carbonic anhydrase XII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570] | ||||||||
| ChEMBL | Inhibition of human CA12 by stopped-flow CO2 hydration assay | B | 5 | pKi | 10100 | nM | Ki | Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318] |
| ChEMBL | Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay | B | 5.09 | pKi | 8150 | nM | Ki | Bioorg Med Chem (2013) 21: 1539-1543 [PMID:22892213] |
| 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 preincubated for 6 hrs by CO2 hydration stopped-flow assay | B | 5.37 | pKi | 4240 | nM | Ki | Bioorg Med Chem (2013) 21: 1539-1543 [PMID:22892213] |
| carbonic anhydrase 13/Carbonic anhydrase XIII in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2186] [GtoPdb: 2748] [UniProtKB: Q9D6N1] | ||||||||
| ChEMBL | Inhibition of mouse CA13 by stopped-flow CO2 hydration assay | B | 4.99 | pKi | 10300 | nM | Ki | Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318] |
| carbonic anhydrase 14/Carbonic anhydrase XIV in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3510] [GtoPdb: 2598] [UniProtKB: Q9ULX7] | ||||||||
| ChEMBL | Inhibition of human CA14 by stopped-flow CO2 hydration assay | B | 5.05 | pKi | 8910 | nM | Ki | Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318] |
| casein kinase 2, alpha 1 polypeptide subunit/casein kinase 2, beta polypeptide subunit/Casein kinase 2 in Rat (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3988629] [GtoPdb: 1549, 1551] [UniProtKB: P19139, P67874] | ||||||||
| ChEMBL | Inhibition of rat liver CK2 using RRRADDSDDDDD as substrate after 10 mins in presence of [gamma-33P]-ATP | B | 7.4 | pIC50 | 40 | nM | IC50 | US-20130225674-A1. Use of dibenzofuranone derivatives to inhibit kinases (2013) |
| casein kinase 2, alpha prime polypeptide subunit/casein kinase 2, beta polypeptide subunit/casein kinase 2, alpha 1 polypeptide subunit/Casein kinase II in Human (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL2095191] [GtoPdb: 1550, 1551, 1549] [UniProtKB: P19784, P67870, P68400] | ||||||||
| ChEMBL | Inhibition of human recombinant CK2 expressed in Escherichia coli BL21(DE3) using RRRDDDSDDD as substrate after 15 mins by capillary electrophoretic analysis | B | 7.4 | pIC50 | 40 | nM | IC50 | Eur J Med Chem (2013) 65: 205-222 [PMID:23711832] |
| ChEMBL | Inhibition of human recombinant CK2a1/CK2b holoenzyme expressed in Escherichia coli BL21(DE3) pre-incubated for 10 mins before substrate addition by capillary electrophoresis based assay | B | 7.4 | pIC50 | 40 | nM | IC50 | J Med Chem (2015) 58: 265-277 [PMID:25272055] |
| casein kinase 2, alpha 1 polypeptide subunit/Casein kinase II alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3629] [GtoPdb: 1549] [UniProtKB: P68400] | ||||||||
| ChEMBL | Inhibition of CK2alpha (unknown origin) | B | 7.7 | pKi | 20 | nM | Ki | Eur J Med Chem (2019) 181: 111581-111581 [PMID:31400711] |
| ChEMBL | Inhibition of GST-fused human recombinant CK2alpha expressed in Escherichia coli HMS174 (DE3) | B | 7.4 | pIC50 | 40 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 2920-2923 [PMID:19414254] |
| Cruzipain in Trypanosoma cruzi (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3563] [UniProtKB: P25779] | ||||||||
| ChEMBL | Inhibition of cruzain | B | 4.19 | pIC50 | 64000 | nM | IC50 | J Med Chem (2008) 51: 2502-2511 [PMID:18333608] |
| cyclin dependent kinase 2/Cyclin-dependent kinase 2/cyclin A in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2094128] [GtoPdb: 1973] [UniProtKB: P20248, P24941, P78396] | ||||||||
| ChEMBL | Inhibition of human recombinant CDK2/CyclinA expressed in Sf9 cells using histone H1 as substrate after 80 mins by scintillation counting | B | 5.47 | pIC50 | 3390 | nM | IC50 | Bioorg Med Chem (2012) 20: 2282-2289 [PMID:22377675] |
| cyclin dependent kinase 4/Cyclin-dependent kinase 4/cyclin D1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907601] [GtoPdb: 1976] [UniProtKB: P11802, P24385] | ||||||||
| ChEMBL | Inhibition of human recombinant CDK4/CyclinD1 expressed in Sf9 cells using RB-CTF as substrate after 80 mins by scintillation counting | B | 5.96 | pIC50 | 1090 | nM | IC50 | Bioorg Med Chem (2012) 20: 2282-2289 [PMID:22377675] |
| autophagy related 4B cysteine peptidase/Cysteine protease ATG4B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1741221] [GtoPdb: 2329] [UniProtKB: Q9Y4P1] | ||||||||
| ChEMBL | Inhibition of wild type recombinant Atg4B (unknown origin) expressed in Escherichia coli BL21 DE3 using N-terminal His6-tagged LC3B-PLA2 as substrate after 60 mins by NBD-C6-HPC dye-based fluorescence assay | B | 5.26 | pIC50 | 5500 | nM | IC50 | Eur J Med Chem (2016) 123: 631-638 [PMID:27517808] |
| ChEMBL | Inhibition of recombinant ATG4B (unknown origin) expressed in Escherichia coli BL21(DE3) using LC3-PLA2 as substrate by fluoroscence based assay | B | 5.52 | pIC50 | 3000 | nM | IC50 | Eur J Med Chem (2019) 178: 648-666 [PMID:31226656] |
| DNA polymerase eta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5542] [UniProtKB: Q9Y253] | ||||||||
| ChEMBL | Inhibition of human recombinant DNA polymerase eta expressed in Baculovirus expression system using TAMRA/BHQ-2-labeled primer/template measured at 2 to 6 mins by reporter-strand displacement assay | B | 7.21 | pIC50 | 62 | nM | IC50 | J Med Chem (2016) 59: 9321-9336 [PMID:27362876] |
| ChEMBL | Inhibition of recombinant human DNA polymerase eta expressed in baculovirus expression system using primer/TAMRA-labeled reporter/BHQ2-labeled template as DNA substrate preincubated for 15 mins followed by substrate addition measured immediately by fluorescence based assay | B | 7.21 | pIC50 | 62 | nM | IC50 | Eur J Med Chem (2023) 248: 115044-115044 [PMID:36621139] |
| DNA polymerase iota in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5391] [UniProtKB: Q9UNA4] | ||||||||
| ChEMBL | Inhibition of human recombinant DNA polymerase iota expressed in Baculovirus expression system using TAMRA/BHQ-2-labeled primer/template measured at 2 to 6 mins by reporter-strand displacement assay | B | 7.21 | pIC50 | 62 | nM | IC50 | J Med Chem (2016) 59: 9321-9336 [PMID:27362876] |
| dual specificity tyrosine phosphorylation regulated kinase 1A/Dual-specificity tyrosine-phosphorylation regulated kinase 1A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2292] [GtoPdb: 2009] [UniProtKB: Q13627] | ||||||||
| ChEMBL | Inhibition of human recombinant DYRK1a | B | 4.4 | pIC50 | >40000 | nM | IC50 | J Med Chem (2006) 49: 2363-2366 [PMID:16610779] |
| ectonucleoside triphosphate diphosphohydrolase 1/Ectonucleoside triphosphate diphosphohydrolase 1 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4739681] [GtoPdb: 2888] [UniProtKB: P55772] | ||||||||
| ChEMBL | Inhibition of mouse CD39 | B | 6.3 | pIC50 | 500 | nM | IC50 | Bioorg Med Chem Lett (2021) 34: 127758-127758 [PMID:33359608] |
| ELAV-like protein 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105924] [UniProtKB: Q14576] | ||||||||
| ChEMBL | Inhibition of ELAV3 (unknown origin)-artificial ARE complex formation after 30 mins in the presence of biotin-labeled RNA probe by chemiluminescence nucleic acid detection method | B | 6.22 | pIC50 | 600 | nM | IC50 | J Med Chem (2017) 60: 8257-8267 [PMID:28587461] |
| EPH receptor B4/Ephrin type-B receptor 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5147] [GtoPdb: 1833] [UniProtKB: P54760] | ||||||||
| ChEMBL | Inhibition of human recombinant EPHB4 expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation counting | B | 5.74 | pIC50 | 1830 | nM | IC50 | Bioorg Med Chem (2012) 20: 2282-2289 [PMID:22377675] |
| epidermal growth factor receptor/Epidermal growth factor receptor erbB1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL203] [GtoPdb: 1797] [UniProtKB: P00533] | ||||||||
| ChEMBL | Inhibition of human recombinant EGF-R expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation counting | B | 6.16 | pIC50 | 690 | nM | IC50 | Bioorg Med Chem (2012) 20: 2282-2289 [PMID:22377675] |
| epoxide hydrolase 2/Epoxide hydratase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2409] [GtoPdb: 2970] [UniProtKB: P34913] | ||||||||
| ChEMBL | Inhibition of sEH (unknown origin) assessed as substrate PHOME hydrolysis after 1 hr by fluorescence method | B | 4.68 | pIC50 | 20700 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 1895-1900 [PMID:24679441] |
| protein tyrosine kinase 2/Focal adhesion kinase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2695] [GtoPdb: 2180] [UniProtKB: Q05397] | ||||||||
| ChEMBL | Inhibition of human recombinant FAK expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation counting | B | 5.51 | pIC50 | 3110 | nM | IC50 | Bioorg Med Chem (2012) 20: 2282-2289 [PMID:22377675] |
| glutathione-disulfide reductase/Glutathione reductase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2755] [GtoPdb: 2613] [UniProtKB: P00390] | ||||||||
| ChEMBL | Inhibition of human glutathione reductase by spectrophotometer | B | 4.64 | pIC50 | 22800 | nM | IC50 | Antimicrob Agents Chemother (2009) 53: 622-630 [PMID:19015351] |
| Glutathione S-transferase in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1697656] [UniProtKB: Q8ILQ7] | ||||||||
| ChEMBL | Inhibition of Plasmodium falciparum glutathione S-transferase | B | 4.13 | pIC50 | 74400 | nM | IC50 | Antimicrob Agents Chemother (2009) 53: 622-630 [PMID:19015351] |
| Glutathione S-transferase Pi in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3902] [UniProtKB: P09211] | ||||||||
| ChEMBL | Inhibition of human glutathione S-transferase P | B | 4.11 | pIC50 | 77100 | nM | IC50 | Antimicrob Agents Chemother (2009) 53: 622-630 [PMID:19015351] |
| glycogen synthase kinase 3 beta/Glycogen synthase kinase-3 beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL262] [GtoPdb: 2030] [UniProtKB: P49841] | ||||||||
| ChEMBL | Inhibition of human recombinant GSK3-beta | B | 5.12 | pIC50 | 7500 | nM | IC50 | J Med Chem (2006) 49: 2363-2366 [PMID:16610779] |
| GPR35/G-protein coupled receptor 35 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293267] [GtoPdb: 102] [UniProtKB: Q9HC97] | ||||||||
| ChEMBL | Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 mins | B | 7 | pIC50 | 100 | nM | IC50 | ACS Med Chem Lett (2012) 3: 165-169 [PMID:24900447] |
| ChEMBL | Agonist activity at GPR35 receptor in human U2OS cells coexpressing Gal4-VP16-TEV assessed as beta arrestin translocation after 5 hrs by beta lactamase reporter gene assay | F | 5.53 | pEC50 | 2960 | nM | EC50 | ACS Med Chem Lett (2012) 3: 165-169 [PMID:24900447] |
| ChEMBL | Agonist activity at GPR35 receptor in human HT-29 cells after 10 mins by dynamic mass redistribution assay | F | 6.96 | pEC50 | 110 | nM | EC50 | ACS Med Chem Lett (2012) 3: 165-169 [PMID:24900447] |
| MET proto-oncogene, receptor tyrosine kinase/Hepatocyte growth factor receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3717] [GtoPdb: 1815] [UniProtKB: P08581] | ||||||||
| ChEMBL | Inhibition of human recombinant MET expressed in Sf9 cells using poly(A,E,K,Y)6:2:5:1 as substrate after 80 mins by scintillation counting | B | 6.24 | pIC50 | 580 | nM | IC50 | Bioorg Med Chem (2012) 20: 2282-2289 [PMID:22377675] |
| coactivator associated arginine methyltransferase 1/Histone-arginine methyltransferase CARM1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5406] [GtoPdb: 1255] [UniProtKB: Q86X55] | ||||||||
| ChEMBL | Inhibition of CARM-1 (unknown origin) using Histone H3 Arg-17 as substrate | B | 4.6 | pIC50 | 25000 | nM | IC50 | Medchemcomm (2012) 3: 135-161 |
| Human immunodeficiency virus type 1 integrase in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3471] [UniProtKB: Q7ZJM1] | ||||||||
| ChEMBL | Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessing | B | 5.29 | pIC50 | 5100 | nM | IC50 | J Med Chem (2000) 43: 2100-2114 [PMID:10841789] |
| ChEMBL | Inhibition of HIV1 integrase | B | 5.29 | pIC50 | 5100 | nM | IC50 | Eur J Med Chem (2007) 42: 1159-1168 [PMID:17367896] |
| inhibitor of nuclear factor kappa B kinase subunit beta/Inhibitor of nuclear factor kappa B kinase beta subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1991] [GtoPdb: 2039] [UniProtKB: O14920] | ||||||||
| ChEMBL | Inhibition of IKKbeta (unknown origin) assessed as substrate phosphorylation using IkappaBalpha as substrate incubated for 1 hr in presence of ATP by chip-based fluorescence assay | B | 5.7 | pIC50 | 1980 | nM | IC50 | Bioorg Med Chem (2020) 28: 115440-115440 [PMID:32205046] |
| Insulin-like growth factor I receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1957] [GtoPdb: 1801] [UniProtKB: P08069] | ||||||||
| ChEMBL | Inhibition of human recombinant IGF1R expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation counting | B | 6.6 | pIC50 | 250 | nM | IC50 | Bioorg Med Chem (2012) 20: 2282-2289 [PMID:22377675] |
| Insulin receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1981] [GtoPdb: 1800] [UniProtKB: P06213] | ||||||||
| ChEMBL | Inhibition of human recombinant INS-R expressed in Sf9 cells using poly(A,E,K,Y)6:2:5:1 as substrate after 80 mins by scintillation counting | B | 6.47 | pIC50 | 340 | nM | IC50 | Bioorg Med Chem (2012) 20: 2282-2289 [PMID:22377675] |
| Macrophage migration inhibitory factor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2085] [UniProtKB: P14174] | ||||||||
| ChEMBL | Inhibition of recombinant human MIF expressed in Escherichia coli BL21(DE3) using dopa as substrate | B | 5.71 | pKi | 1950 | nM | Ki | J Med Chem (2018) 61: 8104-8119 [PMID:29812929] |
| ChEMBL | Inhibition of recombinant human MIF expressed in Escherichia coli BL21(DE3) using dopa as substrate | B | 5.32 | pIC50 | 4770 | nM | IC50 | J Med Chem (2018) 61: 8104-8119 [PMID:29812929] |
| mitogen-activated protein kinase kinase kinase 8/Mitogen-activated protein kinase kinase kinase 8 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4899] [GtoPdb: 2083] [UniProtKB: P41279] | ||||||||
| ChEMBL | Inhibition of human recombinant COT expressed in Sf9 cells assessed as autophosphorylation after 80 mins by scintillation counting | B | 5.63 | pIC50 | 2370 | nM | IC50 | Bioorg Med Chem (2012) 20: 2282-2289 [PMID:22377675] |
| Monoamine oxidase A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1951] [GtoPdb: 2489] [UniProtKB: P21397] | ||||||||
| ChEMBL | Inhibition of MAO-A (unknown origin) | B | 5.8 | pEC50 | 1600 | nM | EC50 | Eur J Med Chem (2019) 183: 111724-111724 [PMID:31563012] |
| NUAK family kinase 1/NUAK family SNF1-like kinase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5784] [GtoPdb: 2129] [UniProtKB: O60285] | ||||||||
| ChEMBL | Inhibition of human recombinant ARK5 expressed in Sf9 cells assessed as autophosphorylation after 80 mins by scintillation counting | B | 6.29 | pIC50 | 510 | nM | IC50 | Bioorg Med Chem (2012) 20: 2282-2289 [PMID:22377675] |
| Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
| ChEMBL | Antiplasmodial activity against multidrug-resistant Plasmodium falciparum W2 assessed as intraerythrocytic growth inhibition | F | 5.05 | pIC50 | 8900 | nM | IC50 | RSC Med Chem (2023) 14: 715-733 [PMID:37122550] |
| ChEMBL | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum FcB1 assessed as intraerythrocytic growth inhibition | F | 5.12 | pIC50 | 7500 | nM | IC50 | RSC Med Chem (2023) 14: 715-733 [PMID:37122550] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum 3D7 assessed as inhibition of parasite reduction by giemsa staining based analysis | F | 5.55 | pIC50 | 2800 | nM | IC50 | RSC Med Chem (2023) 14: 715-733 [PMID:37122550] |
| ChEMBL | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 assessed as intraerythrocytic growth inhibition | F | 5.55 | pIC50 | 2800 | nM | IC50 | RSC Med Chem (2023) 14: 715-733 [PMID:37122550] |
| ChEMBL | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum HB3 | F | 5.88 | pIC50 | 1325 | nM | IC50 | Antimicrob Agents Chemother (2009) 53: 622-630 [PMID:19015351] |
| ChEMBL | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 | F | 6.01 | pIC50 | 970 | nM | IC50 | Antimicrob Agents Chemother (2009) 53: 622-630 [PMID:19015351] |
| ChEMBL | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 | F | 6.09 | pIC50 | 819 | nM | IC50 | Antimicrob Agents Chemother (2009) 53: 622-630 [PMID:19015351] |
| ChEMBL | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum Dd2 | F | 6.45 | pIC50 | 351 | nM | IC50 | Antimicrob Agents Chemother (2009) 53: 622-630 [PMID:19015351] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum F32 | F | 6.48 | pIC50 | 330 | nM | IC50 | Antimicrob Agents Chemother (2009) 53: 1100-1106 [PMID:19015354] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum W2 | F | 6.48 | pIC50 | 330 | nM | IC50 | Antimicrob Agents Chemother (2009) 53: 1100-1106 [PMID:19015354] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum FcB1 | F | 6.52 | pIC50 | 300 | nM | IC50 | Antimicrob Agents Chemother (2009) 53: 1100-1106 [PMID:19015354] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum FcM29 | F | 6.74 | pIC50 | 180 | nM | IC50 | Antimicrob Agents Chemother (2009) 53: 1100-1106 [PMID:19015354] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum Dd2 | F | 6.98 | pIC50 | 105 | nM | IC50 | Antimicrob Agents Chemother (2009) 53: 1100-1106 [PMID:19015354] |
| platelet derived growth factor receptor beta/Platelet-derived growth factor receptor beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1913] [GtoPdb: 1804] [UniProtKB: P09619] | ||||||||
| ChEMBL | Inhibition of human recombinant PDGFRbeta expressed in Sf9 cells using poly(A,E,K,Y)6:2:5:1 as substrate after 80 mins by scintillation counting | B | 5.89 | pIC50 | 1300 | nM | IC50 | Bioorg Med Chem (2012) 20: 2282-2289 [PMID:22377675] |
| Polypeptide N-acetylgalactosaminyltransferase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3713355] [UniProtKB: Q10471] | ||||||||
| ChEMBL | Binding affinity of human recombinant FLAG-tagged ppGalNAcT2 expressed in HEK293 cells assessed as dissociation constant by SPR analysis | B | 6.43 | pKd | 371 | nM | Kd | Bioorg Med Chem (2019) 27: 3372-3382 [PMID:31227364] |
| ChEMBL | Inhibition of catalytic activity of human recombinant FLAG-tagged ppGalNAcT2 W282A mutant expressed in HEK293 cells using EA2 peptide as substrate by HPLC-based enzyme assay | B | 5.53 | pIC50 | 2930 | nM | IC50 | Bioorg Med Chem (2019) 27: 3372-3382 [PMID:31227364] |
| ChEMBL | Inhibition of catalytic activity of human recombinant FLAG-tagged ppGalNAcT2 expressed in HEK293T cells and using 5-FAM labelled-EA2 peptide as substrate incubated for 30 mins by HPLC-based enzyme assay | B | 6.29 | pIC50 | 510 | nM | IC50 | Bioorg Med Chem (2019) 27: 3372-3382 [PMID:31227364] |
| erb-b2 receptor tyrosine kinase 2/Receptor protein-tyrosine kinase erbB-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1824] [GtoPdb: 2019] [UniProtKB: P04626] | ||||||||
| ChEMBL | Inhibition of human recombinant ERBB2 expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation counting | B | 5.45 | pIC50 | 3540 | nM | IC50 | Bioorg Med Chem (2012) 20: 2282-2289 [PMID:22377675] |
| AKT serine/threonine kinase 1/Serine/threonine-protein kinase AKT in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4282] [GtoPdb: 1479] [UniProtKB: P31749] | ||||||||
| ChEMBL | Inhibition of human recombinant AKT1 expressed in Sf9 cells using GSK3(14-27) as substrate after 80 mins by scintillation counting | B | 5.48 | pIC50 | 3340 | nM | IC50 | Bioorg Med Chem (2012) 20: 2282-2289 [PMID:22377675] |
| aurora kinase A/Serine/threonine-protein kinase Aurora-A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4722] [GtoPdb: 1936] [UniProtKB: O14965] | ||||||||
| ChEMBL | Inhibition of human recombinant aurora-A expressed in Sf9 cells using tetra(LRRWSLG) as substrate after 80 mins by scintillation counting | B | 5.61 | pIC50 | 2480 | nM | IC50 | Bioorg Med Chem (2012) 20: 2282-2289 [PMID:22377675] |
| aurora kinase B/Serine/threonine-protein kinase Aurora-B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2185] [GtoPdb: 1937] [UniProtKB: Q96GD4] | ||||||||
| ChEMBL | Inhibition of human recombinant aurora-B expressed in Sf9 cells using tetra(LRRWSLG) as substrate after 80 mins by scintillation counting | B | 5.6 | pIC50 | 2500 | nM | IC50 | Bioorg Med Chem (2012) 20: 2282-2289 [PMID:22377675] |
| B-Raf proto-oncogene, serine/threonine kinase/Serine/threonine-protein kinase B-raf in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5145] [GtoPdb: 1943] [UniProtKB: P15056] | ||||||||
| ChEMBL | Inhibition of human recombinant B-RAF expressed in Sf9 cells using MEK1 KM as substrate after 80 mins by scintillation counting | B | 5.75 | pIC50 | 1760 | nM | IC50 | Bioorg Med Chem (2012) 20: 2282-2289 [PMID:22377675] |
| polo like kinase 1/Serine/threonine-protein kinase PLK1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3024] [GtoPdb: 2168] [UniProtKB: P53350] | ||||||||
| ChEMBL | Inhibition of human recombinant PLK1 expressed in Sf9 cells using casein as substrate after 80 mins by scintillation counting | B | 5.48 | pIC50 | 3340 | nM | IC50 | Bioorg Med Chem (2012) 20: 2282-2289 [PMID:22377675] |
| polo like kinase 4/Serine/threonine-protein kinase PLK4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3788] [GtoPdb: 2171] [UniProtKB: O00444] | ||||||||
| ChEMBL | Inhibition of human recombinant SAK expressed in Sf9 cells using p38alpha-KRKR as substrate after 80 mins by scintillation counting | B | 5.53 | pIC50 | 2970 | nM | IC50 | Bioorg Med Chem (2012) 20: 2282-2289 [PMID:22377675] |
| Organic anion transporter 1/Solute carrier family 22 member 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1641347] [GtoPdb: 1025] [UniProtKB: Q4U2R8] | ||||||||
| ChEMBL | TP_TRANSPORTER: inhibition of ochratoxin A uptake (ochratoxin A / 1uM) in Xenopus laevis oocytes | F | 6.57 | pIC50 | 270 | nM | IC50 | Drug Metab Dispos (2005) 33: 1097-1100 [PMID:15870380] |
| sphingosine kinase 1/Sphingosine kinase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4394] [GtoPdb: 2204] [UniProtKB: Q9NYA1] | ||||||||
| ChEMBL | Inhibition of SphK1 (unknown origin) expressed in Escherichia coli BL21 (DE3) using ATP as substrate preincubated for 1 hrs followed by substrate addition and measured after 30 mins by malachite green-based microtitre-plate assay | B | 6.13 | pIC50 | 740 | nM | IC50 | Eur J Med Chem (2021) 213: 113164-113164 [PMID:33454547] |
| squalene monooxygenase/Squalene monooxygenase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4241] [GtoPdb: 2433] [UniProtKB: P52020] | ||||||||
| ChEMBL | Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia coli | B | 5.7 | pIC50 | 2000 | nM | IC50 | J Nat Prod (2001) 64: 1010-1014 [PMID:11520216] |
| Translin-associated protein X in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4524025] [UniProtKB: Q99598] | ||||||||
| ChEMBL | Inhibition of wild type His-tagged translin/trax E126A mutant (unknown origin) coexpressed in Escherichia coli BL21 cells assessed as reduction in pre-miRNA degradation by gel electrophoresis assay | B | 5.46 | pIC50 | 3500 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 4942-4946 [PMID:27641467] |
| C-terminal Src kinase/Tyrosine-protein kinase CSK in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4365] [GtoPdb: 1994] [UniProtKB: P32577] | ||||||||
| ChEMBL | Inhibition of rat spleen CSK | B | 4.4 | pIC50 | >40000 | nM | IC50 | J Med Chem (2006) 49: 2363-2366 [PMID:16610779] |
| FGR proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase FGR in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4362] [GtoPdb: 2024] [UniProtKB: Q6P6U0] | ||||||||
| ChEMBL | Inhibition of rat spleen FGR | B | 5.03 | pIC50 | 9400 | nM | IC50 | J Med Chem (2006) 49: 2363-2366 [PMID:16610779] |
| LYN proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase Lyn in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4363] [GtoPdb: 2060] [UniProtKB: Q07014] | ||||||||
| ChEMBL | Inhibition of rat spleen Lyn | B | 5.54 | pIC50 | 2900 | nM | IC50 | J Med Chem (2006) 49: 2363-2366 [PMID:16610779] |
| fms related receptor tyrosine kinase 3/Tyrosine-protein kinase receptor FLT3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1974] [GtoPdb: 1807] [UniProtKB: P36888] | ||||||||
| ChEMBL | Inhibition of FLT3 | B | 4.4 | pIC50 | >40000 | nM | IC50 | J Med Chem (2006) 49: 2363-2366 [PMID:16610779] |
| ret proto-oncogene/Tyrosine-protein kinase receptor RET in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2041] [GtoPdb: 2185] [UniProtKB: P07949] | ||||||||
| ChEMBL | Inhibition of RET | B | 4.4 | pIC50 | >40000 | nM | IC50 | J Med Chem (2006) 49: 2363-2366 [PMID:16610779] |
| SRC proto-oncogene, non-receptor tyrosine kinase/Tyrosine-protein kinase SRC in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL267] [GtoPdb: 2206] [UniProtKB: P12931] | ||||||||
| ChEMBL | Inhibition of human recombinant SRC expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation counting | B | 6.1 | pIC50 | 800 | nM | IC50 | Bioorg Med Chem (2012) 20: 2282-2289 [PMID:22377675] |
| ChEMBL | Tested for in vitro inhibitory activity against tyrosine protein kinase pp60 c-src | B | 6.52 | pIC50 | 300 | nM | IC50 | J Med Chem (1994) 37: 2224-2231 [PMID:7518523] |
| spleen associated tyrosine kinase/Tyrosine-protein kinase SYK in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4364] [GtoPdb: 2230] [UniProtKB: Q64725] | ||||||||
| ChEMBL | Inhibition of rat spleen SYK | B | 5.37 | pIC50 | 4300 | nM | IC50 | J Med Chem (2006) 49: 2363-2366 [PMID:16610779] |
| TEK receptor tyrosine kinase/Tyrosine-protein kinase TIE-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4128] [GtoPdb: 1842] [UniProtKB: Q02763] | ||||||||
| ChEMBL | Inhibition of human recombinant TIE2 expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation counting | B | 6.59 | pIC50 | 260 | nM | IC50 | Bioorg Med Chem (2012) 20: 2282-2289 [PMID:22377675] |
| kinase insert domain receptor/Vascular endothelial growth factor receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL279] [GtoPdb: 1813] [UniProtKB: P35968] | ||||||||
| ChEMBL | Inhibition of human recombinant VEGF-R2 expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation counting | B | 6.1 | pIC50 | 790 | nM | IC50 | Bioorg Med Chem (2012) 20: 2282-2289 [PMID:22377675] |
| fms related receptor tyrosine kinase 4/Vascular endothelial growth factor receptor 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1955] [GtoPdb: 1814] [UniProtKB: P35916] | ||||||||
| ChEMBL | Inhibition of human recombinant VEGF-R3 expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation counting | B | 5.81 | pIC50 | 1540 | nM | IC50 | Bioorg Med Chem (2012) 20: 2282-2289 [PMID:22377675] |
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]
