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 |
| synuclein alpha/Alpha-synuclein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6152] [GtoPdb: 3285] [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] |
| Amyloid-beta 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] |
| 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-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] |
| ChEMBL | Inhibition of human BACE-1 | B | 5.55 | pIC50 | 2800 | nM | IC50 | Eur J Med Chem (2018) 152: 570-589 [PMID:29763806] |
| 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 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 phosphorylation using RRRADDSDDDDD as substrate in presence of [32p]-ATP | B | 6.04 | pIC50 | 920 | nM | IC50 | J Med Chem (2023) 66: 2257-2281 [PMID:36745746] |
| 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] |
| Dengue virus type 2 NS3 protein in Dengue virus type 2 (strain Thailand/16681/1984) (DENV-2) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5980] [UniProtKB: P29990] | ||||||||
| ChEMBL | Inhibition of DENV2 NS2B (48 to 100 residues)/NS3 (14 to 185 residues) protease expressed in Escherichia coli BL21 (DE3) using Bz-Nle-Lys-Arg-Arg-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay | B | 5.07 | pIC50 | 8460 | nM | IC50 | Eur J Med Chem (2022) 243: 114753-114753 [PMID:36167010] |
| 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] |
| 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 | 5.81 | pIC50 | 1562 | nM | IC50 | HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activators |
| 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] |
| Monoamine oxidase A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1951] [GtoPdb: 2489] [UniProtKB: P21397] | ||||||||
| ChEMBL | Inhibition of recombinant human MAO-A using kynuramine as substrate incubated for 10 mins followed by substrate addition and measured for 20 mins by Fluorescence microplate reader assay | B | 5 | pIC50 | 9930 | nM | IC50 | Eur J Med Chem (2020) 206: 112787-112787 [PMID:32942081] |
| 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] |
| Muscleblind-like protein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293317] [UniProtKB: Q9NR56] | ||||||||
| ChEMBL | Binding affinity to MBNL1 (unknown origin) | B | 9.6 | pKd | 0.25 | nM | Kd | J Med Chem (2022) 65: 15993-16032 [PMID:36490325] |
| 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] |
| pancreatic lipase/Pancreatic lipase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1812] [GtoPdb: 2590] [UniProtKB: P16233] | ||||||||
| ChEMBL | Negative allosteric modulator activity at human Pancreatic lipase using DDAO-ol as fluorescent substrate preincubated for 3 mins followed by substrate addition measured after 20 mins by microplate reader assay | B | 5.87 | pIC50 | 1340 | nM | IC50 | Bioorg Med Chem (2023) 91: 117413-117413 [PMID:37490786] |
| 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] |
| pyruvate kinase M1/2/Pyruvate kinase isozymes M1/M2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075189] [GtoPdb: 3006] [UniProtKB: P14618] | ||||||||
| ChEMBL | Activation of recombinant PKM2 (unknown origin) Phe26, Tyr390, Glu397, Asp354, Leu353 residues | B | 9.29 | pEC50 | 0.51 | nM | EC50 | J Med Chem (2022) 65: 1171-1205 [PMID:34726055] |
| 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 | Binding affinity to SARS-CoV-2 Main protease assessed as inhibition constant | B | 4.8 | pKi | 15730 | nM | Ki | J Med Chem (2022) 65: 12500-12534 [PMID:36169610] |
| ChEMBL | Inhibition of N-terminal full length GST-tagged SARS-CoV-2 3CLpro expressed in Escherichia coli BL21 (DE3) by using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH as fluorogenic substrate preincubated with compound for 10 mins followed by substrate addition by FRET assay | B | 5.54 | pIC50 | 2860 | nM | IC50 | Eur J Med Chem (2023) 257: 115491-115491 [PMID:37244162] |
| ChEMBL | Inhibition of full length SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate preincubated for 10 mins followed by substrate addition and measured every 30 secs for 10 mins by FRET assay | B | 6.22 | pIC50 | 600 | nM | IC50 | J Nat Prod (2023) 86: 1536-1549 [PMID:37257024] |
| 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 |
| ChEMBL | Inhibition of SARS-CoV-2 Main protease | B | 6.7 | pIC50 | 200 | nM | IC50 | J Med Chem (2022) 65: 12500-12534 [PMID:36169610] |
| 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] |
| OATP2B1/Solute carrier organic anion transporter family member 2B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1743124] [GtoPdb: 1224] [UniProtKB: O94956] | ||||||||
| ChEMBL | Inhibition of human OATP2B1 expressed in Flp-In-CHO cells assessed as inhibition of OATP2B1 mediated DBF uptake using DBF as fluorescent substrate incubated for 2 mins by BCA assay | B | 4.57 | pIC50 | 26915.35 | nM | IC50 | RSC Med Chem (2023) 14: 890-898 [PMID:37252098] |
| ChEMBL | Inhibition of human OATP2B1 expressed in Flp-In-CHO cells assessed as inhibition of OATP2B1 mediated DBF uptake using DBF as fluorescent substrate incubated for 2 mins by BCA assay | B | 4.57 | pIC50 | 26800 | nM | IC50 | RSC Med Chem (2023) 14: 890-898 [PMID:37252098] |
| Sortase A in S.aureus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5362] [UniProtKB: Q9S446] | ||||||||
| ChEMBL | Inhibition of recombinant Staphylococcus aureus ATCC 6538p SrtA expressed in Escherichia coli TOP10 using Dabcyl-QALPETGEE-Edans as substrate incubated for 1 hr by fluorometric analysis | B | 4.36 | pIC50 | 44030 | nM | IC50 | J Med Chem (2021) 64: 13097-13130 [PMID:34516107] |
| 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 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]
