myricetin [Ligand Id: 13074] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL164 (NSC-407290) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| 3-oxoacyl-acyl-carrier protein reductase in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4513] [UniProtKB: Q965D6] | ||||||||
| ChEMBL | Inhibition of FabG | B | 4.85 | pIC50 | 14000 | nM | IC50 | J Med Chem (2006) 49: 3345-3353 [PMID:16722653] |
| acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303] | ||||||||
| ChEMBL | Inhibition of human recombinant AChE by Ellman's method | B | 4.42 | pKi | 37800 | nM | Ki | Eur J Med Chem (2010) 45: 186-192 [PMID:19879672] |
| ChEMBL | Inhibition of AChE (unknown origin) | B | 7.92 | pIC50 | 12 | nM | IC50 | Med Chem Res (2013) 22: 3061-3075 |
| Aldo-keto reductase family 1 member C21 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075270] [UniProtKB: Q91WR5] | ||||||||
| ChEMBL | Inhibition of mouse recombinant AKR1C21 | B | 4.91 | pIC50 | 12300 | nM | IC50 | Bioorg Med Chem (2008) 16: 3245-3254 [PMID:18165015] |
| 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 | B | 4.54 | pIC50 | 29000 | nM | IC50 | Bioorg Med Chem (2008) 16: 3245-3254 [PMID:18165015] |
| Alpha-glucosidase MAL62 in Saccharomyces cerevisiae (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4357] [UniProtKB: P07265] | ||||||||
| ChEMBL | Inhibition of baker's yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate by spectrophotometry | B | 0.7 | pIC50 | 0.7 | - | logIC50 | Med Chem Res (2012) 21: 3984-3993 |
| Alpha-synuclein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6152] [UniProtKB: P37840] | ||||||||
| ChEMBL | Inhibition of human alpha-synuclein filament formation expressed in Escherichia coli BL21(DE3) cells incubated for 72 hrs by thioflavin S based fluorescence assay | B | 4.88 | pIC50 | 13300 | nM | IC50 | Eur J Med Chem (2019) 167: 10-36 [PMID:30743095] |
| ChEMBL | Inhibition of alpha-synuclein fibril formation (unknown origin) incubated for 24 hrs to 7 days by thioflavin S based fluorescence assay | B | 6.66 | pIC50 | 220 | nM | IC50 | Eur J Med Chem (2019) 167: 10-36 [PMID:30743095] |
| Angiotensin-converting enzyme 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3736] [GtoPdb: 1614] [UniProtKB: Q9BYF1] | ||||||||
| ChEMBL | Inhibition of recombinant SARS-COV2 His-tagged S-RBD binding to recombinant human ACE2 expressed in HEK293T cells incubated for 0.5 hrs by alpha screen assay | B | 5 | pIC50 | 10000 | nM | IC50 | J Med Chem (2021) 64: 17530-17539 [PMID:34812616] |
| Arginase in Leishmania amazonensis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3108635] [UniProtKB: O96394] | ||||||||
| ChEMBL | Noncompetitive inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate by Dixon reciprocal plot analysis | B | 5.92 | pKi | 1200 | nM | Ki | J Nat Prod (2014) 77: 392-396 [PMID:24521209] |
| ChEMBL | Inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate incubated for 10 mins prior to substrate addition measured after 10 mins by colorimetry | B | 5.68 | pIC50 | 2100 | nM | IC50 | J Nat Prod (2014) 77: 392-396 [PMID:24521209] |
| Beta amyloid A4 protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2487] [UniProtKB: P05067] | ||||||||
| ChEMBL | Inhibition of wild type Amyloid beta (1 to 42) (unknown origin) aggregation by Thioflavin-T fluorescence assay | B | 4.82 | pIC50 | 15100 | nM | IC50 | Bioorg Med Chem (2016) 24: 304-313 [PMID:26719209] |
| ChEMBL | Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation by Thioflavin-T fluorescence assay | B | 4.83 | pIC50 | 14800 | nM | IC50 | J Nat Prod (2017) 80: 278-289 [PMID:28128562] |
| ChEMBL | Inhibition of self-induced aggregation amyloid beta (1 to 40) (unknown origin) incubated for 24 hrs by Thioflavin T based fluorometric assay | B | 5 | pIC50 | 9900 | nM | IC50 | J Nat Prod (2021) 84: 1748-1754 [PMID:34100599] |
| ChEMBL | Inhibition of human amyloid beta (1 to 40) aggregation after 24 hrs by ThT fluorescence assay | B | 5.13 | pIC50 | 7400 | nM | IC50 | Bioorg Med Chem Lett (2020) 30: 126808-126808 [PMID:31791817] |
| ChEMBL | Inhibition of human amyloid beta (1 to 40) assessed as reduction in aggregation measured after 24 hrs by ThT fluorescence assay | B | 5.39 | pIC50 | 4100 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 1994-1997 [PMID:31138471] |
| ChEMBL | Inhibition of amyloid beta (1-42) aggregation (unknown origin) after 24 hrs by thioflavin T fluorescence method | B | 5.52 | pIC50 | <3000 | nM | IC50 | Eur J Med Chem (2014) 85: 228-234 [PMID:25086914] |
| beta-secretase 1/Beta-secretase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4822] [GtoPdb: 2330] [UniProtKB: P56817] | ||||||||
| ChEMBL | Inhibition of human recombinant BACE-1 expressed in Escherichia coli using panvera peptide as a substrate incubated for 1 hr by fluorescence analysis | B | 5.38 | pIC50 | 4180 | nM | IC50 | Eur J Med Chem (2021) 225: 113779-113779 [PMID:34418785] |
| ChEMBL | Inhibition of BACE1 (unknown origin) | B | 5.55 | pIC50 | 2800 | nM | IC50 | Med Chem Res (2013) 22: 3061-3075 |
| ChEMBL | Inhibition of BACE1 (unknown origin) using Rh-EVNNLDAEFK fluorogenic peptide as substrate incubated for 3 hrs by FRET assay | B | 5.55 | pIC50 | 2800 | nM | IC50 | J Nat Prod (2021) 84: 1748-1754 [PMID:34100599] |
| butyrylcholinesterase/Butyrylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1914] [GtoPdb: 2471] [UniProtKB: P06276] | ||||||||
| ChEMBL | Inhibition of human plasma BChE by Ellman's method | B | 4.15 | pKi | 71000 | nM | Ki | Eur J Med Chem (2010) 45: 186-192 [PMID:19879672] |
| ABCC2/Canalicular multispecific organic anion transporter 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5748] [GtoPdb: 780] [UniProtKB: Q92887] | ||||||||
| ChEMBL | Inhibition of MRP2 | B | 4.66 | pIC50 | 22000 | nM | IC50 | J Med Chem (2009) 52: 5311-5322 [PMID:19725578] |
| 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 recombinant human CK2 expressed in Escherichia coli using RRRADDSDDDDD as substrate after 10 mins | B | 6 | pIC50 | <1000 | nM | IC50 | J Med Chem (2015) 58: 7400-7408 [PMID:26322379] |
| ChEMBL | Inhibition of CK2 (unknown origin) | B | 6.04 | pIC50 | 920 | nM | IC50 | Bioorg Med Chem (2013) 21: 6681-6689 [PMID:24011954] |
| cyclin dependent kinase 5/Cell division protein kinase 5 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5901] [GtoPdb: 1977] [UniProtKB: Q03114] | ||||||||
| ChEMBL | Inhibition of rat fetal brain CDK5 assessed as phosphorylated histone H1 levels by immuno-precipitation | B | 4.15 | pEC50 | 71100 | nM | EC50 | J Nat Prod (2004) 67: 416-420 [PMID:15043421] |
| Cystathionine β-synthase/Cystathionine beta-synthase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3399911] [GtoPdb: 1443] [UniProtKB: P35520] | ||||||||
| ChEMBL | Inhibition of full-length GST-fused human CBS using cysteine/homocysteine as substrate assessed as decrease in H2S production preincubated for 3 mins in presence of homocysteine and lead nitrate followed by cysteine addition | B | 4.73 | pIC50 | 18800 | nM | IC50 | Medchemcomm (2017) 8: 198-201 [PMID:30108705] |
| CYP19A1/Cytochrome P450 19A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1978] [GtoPdb: 1362] [UniProtKB: P11511] | ||||||||
| ChEMBL | Inhibition of human aromatase by fluorometric assay | B | 5 | pIC50 | 10000 | nM | IC50 | Bioorg Med Chem (2008) 16: 8466-8470 [PMID:18778944] |
| CYP1B1/Cytochrome P450 1B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4878] [GtoPdb: 1320] [UniProtKB: Q16678] | ||||||||
| ChEMBL | Inhibition of CYP1B1 (unknown origin) | B | 7.57 | pKi | 27 | nM | Ki | Eur J Med Chem (2017) 135: 296-306 [PMID:28458135] |
| death associated protein kinase 1/Death-associated protein kinase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2558] [GtoPdb: 2002] [UniProtKB: P53355] | ||||||||
| ChEMBL | Displacement of ANS from DAPK1 catalytic domain (1 to 285) (unknown origin) after 30 mins by fluorescence assay | B | 4.64 | pIC50 | 23000 | nM | IC50 | J Med Chem (2015) 58: 7400-7408 [PMID:26322379] |
| Dihydroorotate dehydrogenase (fumarate) in Leishmania major (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4295843] [UniProtKB: Q4QEW7] | ||||||||
| ChEMBL | Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured after 60 secs | B | 4.5 | pIC50 | 31622.78 | nM | IC50 | Eur J Med Chem (2018) 157: 852-866 [PMID:30145372] |
| ChEMBL | Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured after 60 secs | B | 4.52 | pIC50 | 29910 | nM | IC50 | Eur J Med Chem (2018) 157: 852-866 [PMID:30145372] |
| dipeptidyl peptidase 4/Dipeptidyl peptidase IV in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL284] [GtoPdb: 1612] [UniProtKB: P27487] | ||||||||
| ChEMBL | Inhibition of human DPP4 using H-Gly-Pro-AMC peptide substrate assessed as increase in fluorescence for 20 mins by fluorimetric assay | B | 4.43 | pIC50 | 37150 | nM | IC50 | Medchemcomm (2011) 2: 471-477 |
| DNA-(apurinic or apyrimidinic site) lyase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5619] [UniProtKB: P27695] | ||||||||
| ChEMBL | Inhibition of human APE1 after 25 mins by fluorescence assay | B | 6.49 | pIC50 | 320 | nM | IC50 | J Med Chem (2014) 57: 10241-10256 [PMID:25280182] |
| ChEMBL | Inhibition of human APE1 preincubated for 15 mins followed by substrate addition by HTS assay | B | 6.49 | pIC50 | 320 | nM | IC50 | Bioorg Med Chem (2017) 25: 2531-2544 [PMID:28161249] |
| DNA topoisomerase II alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1806] [GtoPdb: 2637] [UniProtKB: P11388] | ||||||||
| ChEMBL | Inhibition of Homo sapiens (human) DNA topoisomerase 2 | B | 6.41 | pIC50 | 390 | nM | IC50 | Med Chem Res (2010) 19: 817-835 |
| 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 | pIC50 | 1000 | nM | IC50 | J Med Chem (2017) 60: 8257-8267 [PMID:28587461] |
| Enoyl-acyl-carrier protein reductase in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4150] [UniProtKB: Q965D5] | ||||||||
| ChEMBL | Inhibition of FabI | B | 6.4 | pIC50 | 400 | nM | IC50 | J Med Chem (2006) 49: 3345-3353 [PMID:16722653] |
| Fatty acid synthase in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4512] [UniProtKB: Q965D7] | ||||||||
| ChEMBL | Inhibition of FabZ | B | 5.7 | pIC50 | 2000 | nM | IC50 | J Med Chem (2006) 49: 3345-3353 [PMID:16722653] |
| Genome polyprotein in Zika virus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523954] [UniProtKB: A0A024AXB9] | ||||||||
| ChEMBL | Inhibition of Zika virus Asian/8375 NS2B (48 to 100 residues)-NS3 (14 to 185 residues) expressed in Escherichia coli BL21 (DE3) Star cells preincubated for 30 mins followed by Bz-nKRR-AMC substrate addition | B | 6.1 | pKi | 800 | nM | Ki | J Med Chem (2020) 63: 470-489 [PMID:31549836] |
| ChEMBL | Inhibition of Zika virus NS2B (1421 to 1469 residues) - NS3 (1503 to 1688 residues) expressed in Escherichia coli BL21(DE3) cells using Dabcyl-KTSAVLQSGFRKME-Edans as substrate after 11 mins by FRET assay | B | 4.66 | pIC50 | 22000 | nM | IC50 | J Med Chem (2020) 63: 470-489 [PMID:31549836] |
| ChEMBL | Inhibition of Zika virus Asian/8375 NS2B (48 to 100 residues)-NS3 (14 to 185 residues) expressed in Escherichia coli BL21 (DE3) Star cells preincubated for 30 mins followed by Bz-nKRR-AMC substrate addition | B | 5.89 | pIC50 | 1300 | nM | IC50 | J Med Chem (2020) 63: 470-489 [PMID:31549836] |
| Glyoxalase I in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2424] [UniProtKB: Q04760] | ||||||||
| ChEMBL | Inhibition of recombinant human N-terminal Met and 6-His-tagged Glyoxalase-1 (Ala2 to Met184 residues) using glutathione and methylglyoxal as substrates preincubated for 15 mins followed by enzyme addition by double beam UV-vis spectrophotometric method | B | 5.47 | pIC50 | 3380 | nM | IC50 | Bioorg Med Chem (2020) 28: 115608-115608 [PMID:32690268] |
| ChEMBL | Inhibition of human recombinant His-tagged Glyoxalase 1 expressed in Sf21-Baculovirus system | B | 6.25 | pIC50 | 560 | nM | IC50 | Bioorg Med Chem (2008) 16: 3969-3975 [PMID:18258440] |
| ChEMBL | Inhibition of recombinant human His-tagged glyoxalase 1 expressed in Escherichia coli BL21 assessed as formation of S-D-lactoylglutathione after 5 mins by spectrophotometric method | B | 6.25 | pIC50 | 560 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 4337-4342 [PMID:21669529] |
| 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 | 5.67 | pIC50 | 2120 | 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 | 4.83 | pEC50 | 14700 | 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 | 5.52 | pEC50 | 3020 | nM | EC50 | ACS Med Chem Lett (2012) 3: 165-169 [PMID:24900447] |
| heat shock protein 90 alpha family class B member 1/Heat shock protein HSP 90-beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4303] [GtoPdb: 2907] [UniProtKB: P08238] | ||||||||
| ChEMBL | Displacement of GM-cy3B from Hsp90 in human SKBR3 cells after 24 hrs by fluorescence polarization assay | B | 4.87 | pIC50 | 13500 | nM | IC50 | J Med Chem (2014) 57: 1188-1207 [PMID:24548207] |
| Human immunodeficiency virus type 1 integrase in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3471] [UniProtKB: Q7ZJM1] | ||||||||
| ChEMBL | IC50 was measured as concentration required to inhibit 50% of HIV-integrase cleavage | B | 5.12 | pIC50 | 7600 | nM | IC50 | J Med Chem (1995) 38: 890-897 [PMID:7699704] |
| ChEMBL | IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration | B | 5.6 | pIC50 | 2500 | nM | IC50 | J Med Chem (1995) 38: 890-897 [PMID:7699704] |
| ChEMBL | Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessing | B | 5.7 | pIC50 | 2000 | nM | IC50 | J Med Chem (2000) 43: 2100-2114 [PMID:10841789] |
| ChEMBL | Tested for inhibition of HIV-1 integrase, under 1 uM for the strand transfer | B | 6.22 | pIC50 | 600 | nM | IC50 | J Med Chem (2000) 43: 2100-2114 [PMID:10841789] |
| Inositol hexakisphosphate kinase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523488] [UniProtKB: Q9UHH9] | ||||||||
| ChEMBL | Inhibition of human IP6K2 using insP6 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay | B | 6.15 | pIC50 | 700 | nM | IC50 | J Med Chem (2019) 62: 1443-1454 [PMID:30624931] |
| Inositol polyphosphate multikinase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523401] [UniProtKB: Q8NFU5] | ||||||||
| ChEMBL | Inhibition of human IPMK using insP3 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay | B | 5.96 | pIC50 | 1100 | nM | IC50 | J Med Chem (2019) 62: 1443-1454 [PMID:30624931] |
| insulin degrading enzyme/Insulin-degrading enzyme in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293287] [GtoPdb: 2371] [UniProtKB: P14735] | ||||||||
| ChEMBL | Inhibition of human recombinant IDE expressed in Escherichia coli BL21 (DE3) cells using ATTO 655- Cys-Lys-Leu-Val-Phe-Phe-Ala-Glu-Asp-Trp as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by spectrophotometric analysis | B | 4 | pIC50 | 100000 | nM | IC50 | Eur J Med Chem (2019) 179: 557-566 [PMID:31276900] |
| Insulin receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1981] [GtoPdb: 1800] [UniProtKB: P06213] | ||||||||
| ChEMBL | Inhibition of insulin receptor | B | 5.59 | pKi | 2600 | nM | Ki | J Nat Prod (1992) 55: 1529-1560 [PMID:1479375] |
| GtoPdb | - | - | 5.59 | pKi | 2600 | nM | Ki | Biochem Pharmacol (1988) 37: 2987-92 [PMID:3164998] |
| 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 | 4.61 | pIC50 | 24800 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 3939-3942 [PMID:21641214] |
| lysine demethylase 4E/Lysine-specific demethylase 4D-like in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293226] [GtoPdb: 2679] [UniProtKB: B2RXH2] | ||||||||
| ChEMBL | Inhibition of JMJD2E | B | 5.52 | pIC50 | 3000 | nM | IC50 | Bioorg Med Chem (2011) 19: 3625-3636 [PMID:21596573] |
| ChEMBL | Inhibition of N-terminal His-6-tagged human JMJD2E (1 to 337 residues) expressed in Escherichia coli by MALDI-TOF/MS analysis | B | 5.52 | pIC50 | 3000 | nM | IC50 | Medchemcomm (2012) 3: 135-161 |
| Microtubule-associated protein tau in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293224] [UniProtKB: P10636] | ||||||||
| ChEMBL | Inhibition of His-tagged human brain tau 3R MBD aggregation after 16 hrs by thioflavin T fluorescence method | B | 5.52 | pIC50 | <3000 | nM | IC50 | Eur J Med Chem (2014) 85: 228-234 [PMID:25086914] |
| ChEMBL | Inhibition of human recombinant brain tau protein (412 amino acid residues) filament assembly expressed in Escherichia coli BL21(DE3) by electron microscopic analysis in presence of heparin | B | 5.92 | pIC50 | 1200 | nM | IC50 | J Med Chem (2013) 56: 4135-4155 [PMID:23484434] |
| ABCC1/Multidrug resistance-associated protein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3004] [GtoPdb: 779] [UniProtKB: P33527] | ||||||||
| ChEMBL | TP_TRANSPORTER: inhibition of LTC4 uptake in membrane vesicle from MRP1-expressing HeLa cells | F | 4.88 | pKi | 13300 | nM | Ki | Mol Pharmacol (2001) 59: 1171-1180 [PMID:11306701] |
| ChEMBL | Inhibition of MRP1 transfected in human HeLa cells assessed as inhibition of [3H]LTC4 transport by rapid filtration assay | B | 5.62 | pKi | 2400 | nM | Ki | J Med Chem (2009) 52: 5311-5322 [PMID:19725578] |
| ChEMBL | Inhibition of MRP1 | B | 4.7 | pIC50 | 20000 | nM | IC50 | J Med Chem (2009) 52: 5311-5322 [PMID:19725578] |
| myosin light chain kinase/Myosin light chain kinase, smooth muscle in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2428] [GtoPdb: 1552] [UniProtKB: Q15746] | ||||||||
| ChEMBL | Inhibition of MLCK | B | 5.77 | pKi | 1700 | nM | Ki | J Nat Prod (2006) 69: 14-17 [PMID:16441060] |
| Neuraminidase in Influenza A virus (A/Puerto Rico/8/1934(H1N1)) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2051] [UniProtKB: P03468] | ||||||||
| ChEMBL | Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay | B | 1.42 | pIC50 | 1.42 | - | logIC50 | Eur J Med Chem (2010) 45: 1724-1730 [PMID:20116898] |
| Neuraminidase in Influenza A virus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6135] [UniProtKB: B4URF0] | ||||||||
| ChEMBL | Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay | B | 4.08 | pIC50 | 82600 | nM | IC50 | Bioorg Med Chem (2008) 16: 7141-7147 [PMID:18640042] |
| ChEMBL | Inhibition of Influenza A Jiangsu/10/2003 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay | B | 4.12 | pIC50 | 75400 | nM | IC50 | Bioorg Med Chem (2008) 16: 7141-7147 [PMID:18640042] |
| ChEMBL | Inhibition of Influenza A Jinan/15/90 H3N2 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay | B | 4.34 | pIC50 | 46200 | nM | IC50 | Bioorg Med Chem (2008) 16: 7141-7147 [PMID:18640042] |
| phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma/PI3-kinase p110-gamma subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3267] [GtoPdb: 2156] [UniProtKB: P48736] | ||||||||
| ChEMBL | Inhibition of PI3Kgamma (unknown origin) assessed as decrease in fluorescence intensity using phosphorylated substrate | B | 5.33 | pIC50 | 4720 | nM | IC50 | Eur J Med Chem (2014) 84: 454-465 [PMID:25050878] |
| Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
| ChEMBL | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54 | F | 4.24 | pIC50 | 57300 | nM | IC50 | J Med Chem (2006) 49: 3345-3353 [PMID:16722653] |
| ChEMBL | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 | F | 4.89 | pIC50 | 12900 | nM | IC50 | J Med Chem (2006) 49: 3345-3353 [PMID:16722653] |
| 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] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR green assay | F | 5.2 | pIC50 | 6309.57 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR green assay | F | 5.2 | pIC50 | 6309.57 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR green assay | F | 5.2 | pIC50 | 6309.57 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR green assay | F | 5.4 | pIC50 | 3981.07 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
| proteasome 20S subunit beta 5/Proteasome Macropain subunit MB1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4662] [GtoPdb: 2406] [UniProtKB: P28074] | ||||||||
| ChEMBL | Inhibition of chymotrypsin-like activity of human 26S proteasome in human Jurkat cells assessed as decrease in AMC hydrolysis using Z-Gly-Gly-Leu-AMC as substrate after 24 hrs by fluorescence based method | B | 4.92 | pIC50 | 12000 | nM | IC50 | Eur J Med Chem (2019) 167: 291-311 [PMID:30776692] |
| ChEMBL | Inhibition of chymotrypsin-like activity of purified human 20S proteasome expressed in human Jurkat cells assessed as decrease in AMC hydrolysis using Suc-Leu-Leu-Val-Tyr-AMC as substrate incubated for 2 hrs by fluorescence based method | B | 5 | pIC50 | 10000 | nM | IC50 | Eur J Med Chem (2019) 167: 291-311 [PMID:30776692] |
| Protein E6 in Human papillomavirus type 16 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2010633] [UniProtKB: P03126] | ||||||||
| ChEMBL | Inhibition of GST-tagged Human papillomavirus 16 protein E6 interaction with His-tagged human caspase 8 expressed in Escherichia coli after 1 hr incubation followed by overnight incubation by Alpha screening technique | B | 6.07 | pIC50 | 850 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 2125-2129 [PMID:22300659] |
| Replicase polyprotein 1ab in Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4295557] [UniProtKB: K9N7C7] | ||||||||
| ChEMBL | MERS_3CL Pro protease inhibition IC50 by FRET kind of response from peptide substrate | F | 5 | pIC50 | >10000 | nM | IC50 | Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen |
| CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/CoV Non-structural protein 13/Replicase polyprotein 1ab in Severe acute respiratory syndrome coronavirus 2 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523582] [GtoPdb: 3125, 3139, 3206, 3261] [UniProtKB: P0DTD1] | ||||||||
| ChEMBL | SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate | F | 6.4 | pIC50 | 400 | nM | IC50 | Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen |
| ChEMBL | SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate | F | 6.66 | pIC50 | 220 | nM | IC50 | Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen |
| RNase L in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3575] [UniProtKB: Q05823] | ||||||||
| ChEMBL | Inhibition of recombinant full length H-RNAase L (1 to 741 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition rate in presence of 2-5A and ATP/MgCl2 by STD-NMR spectroscopy | B | 3.58 | pIC50 | 264000 | nM | IC50 | J Med Chem (2022) 65: 1445-1457 [PMID:34841869] |
| Salivary alpha-amylase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2478] [UniProtKB: P0DUB6] | ||||||||
| ChEMBL | Inhibition of human salivary alpha-amylase | B | 4.52 | pIC50 | 30200 | nM | IC50 | J Med Chem (2008) 51: 3555-3561 [PMID:18507367] |
| 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 B-Raf V600E mutant (unknown origin) using fluorescein-MAP2K1 as substrate after 1 hr by electrophoretic assay | B | 5.81 | pIC50 | 1562 | nM | IC50 | Medchemcomm (2017) 8: 1835-1844 [PMID:30108894] |
| Pim-1 proto-oncogene, serine/threonine kinase/Serine/threonine-protein kinase PIM1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2147] [GtoPdb: 2158] [UniProtKB: P11309] | ||||||||
| ChEMBL | Inhibition of PIM1 kinase | B | 0.11 | pIC50 | 0.11 | uM | -Log IC50 | Bioorg Med Chem (2007) 15: 6463-6473 [PMID:17637507] |
| ChEMBL | Inhibition of recombinant PIM1 (unknown origin) expressed in Escherichia coli after 60 mins by ELISA | B | 6.11 | pIC50 | 780 | nM | IC50 | Bioorg Med Chem (2019) 27: 677-685 [PMID:30733087] |
| TRPC5/Short transient receptor potential channel 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1250411] [GtoPdb: 490] [UniProtKB: Q9UL62] | ||||||||
| ChEMBL | Inhibition of human TRPC5 expressed in HEK293 cells assessed as reduction in gadolinium-induced calcium entry after 30 mins by fluo-4 dye based fluorescence assay | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2019) 62: 7589-7602 [PMID:30943030] |
| Glucose transporter 2/Solute carrier family 2, facilitated glucose transporter member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5873] [GtoPdb: 876] [UniProtKB: P11168] | ||||||||
| ChEMBL | Inhibition of human GLUT2 expressed in Xenopus laevis oocytes assessed as reduction in [14C]fructose uptake by scintillation spectrometric method | B | 4.92 | pIC50 | 12000 | nM | IC50 | Medchemcomm (2016) 7: 1716-1729 [PMID:28042452] |
| ChEMBL | Inhibition of human GLUT2 expressed in Xenopus laevis oocytes assessed as reduction in [3H] 2-deoxyglucose uptake by scintillation spectrometric method | B | 4.92 | pIC50 | 12000 | nM | IC50 | Medchemcomm (2016) 7: 1716-1729 [PMID:28042452] |
| Glucose transporter 4/Solute carrier family 2, facilitated glucose transporter member 4 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3286066] [GtoPdb: 878] [UniProtKB: P19357] | ||||||||
| ChEMBL | Competitive inhibition of GLUT4 in Wistar rat adipocytes assessed as reduction in insulin-stimulated 3-O-[3H]methyl-D-glucose uptake measured for 30 secs by Lineweaver-Burk plot analysis | B | 4.47 | pKi | 33500 | nM | Ki | Medchemcomm (2016) 7: 1716-1729 [PMID:28042452] |
| Trypsin I in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3769] [UniProtKB: P00760] | ||||||||
| ChEMBL | Inhibitory concentration of the compounds against Bovine trypsin enzyme. | B | 4.99 | pIC50 | 10200 | nM | IC50 | J Med Chem (1997) 40: 4136-4145 [PMID:9406602] |
| 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 recombinant FLT3 (unknown origin) by TR-FRET assay | B | 5.77 | pIC50 | 1690 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 1768-1770 [PMID:23411073] |
| spleen associated tyrosine kinase/Tyrosine-protein kinase SYK in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2599] [GtoPdb: 2230] [UniProtKB: P43405] | ||||||||
| ChEMBL | Inhibition of SYK | B | 5.19 | pIC50 | 6400 | nM | IC50 | J Med Chem (2012) 55: 3614-3643 [PMID:22257213] |
| ChEMBL | Inhibition of SYK in human mast cells assessed as reduction in mast cell degranulation | B | 4.27 | pEC50 | 54000 | nM | EC50 | J Med Chem (2012) 55: 3614-3643 [PMID:22257213] |
| Tyrosine-protein kinase transforming protein FPS in Fujinami sarcoma virus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5708] [UniProtKB: P00530] | ||||||||
| ChEMBL | Inhibition of Fujinami sarcoma virus pp130fps | B | 5.74 | pKi | 1800 | nM | Ki | J Nat Prod (1992) 55: 1529-1560 [PMID:1479375] |
| xanthine dehydrogenase/Xanthine dehydrogenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1929] [GtoPdb: 2646] [UniProtKB: P47989] | ||||||||
| ChEMBL | Inhibition of xanthine oxidase assessed as decrease in uric acid production by spectrophotometry | B | 5.62 | pIC50 | 2380 | nM | IC50 | J Nat Prod (1998) 61: 71-76 [PMID:9461655] |
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]
