kaempferol [Ligand Id: 11052] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL150 (Kaempferol, Kempferol, Pelargidenolon, Populnetin, Rhamnolutein, Rhamnolutin, Robigenin, Swartziol, Trifolitin) |
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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 | 5.4 | pIC50 | 4000 | 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 | 4.03 | pKi | 92800 | nM | Ki | Eur J Med Chem (2010) 45: 186-192 [PMID:19879672] |
| alpha glucosidase/Acidic alpha-glucosidase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3513] [GtoPdb: 2611] [UniProtKB: Q6P7A9] | ||||||||
| ChEMBL | Inhibition ofRattus norvegicus alpha-glucosidase isolated from intestine using PNPG as substrate incubated for 15 min prior to substrate addition measured after 15 min by spectrophotometric analysis | B | 4.23 | pIC50 | 59540 | nM | IC50 | Med Chem Res (2011) 20: 809-816 |
| Alcohol sulfotransferase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3007] [UniProtKB: P15709] | ||||||||
| ChEMBL | Inhibition of rat SULT2A1-mediated dehydroepiandrosterone sulfonation incubated for 20 mins | B | 4.47 | pIC50 | 34000 | nM | IC50 | Eur J Med Chem (2021) 213: 113037-113037 [PMID:33257172] |
| 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 | 5 | pIC50 | 10000 | 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 rat lens aldose reductase | B | 5.88 | pIC50 | 1330 | nM | IC50 | J Nat Prod (2008) 71: 713-715 [PMID:18298080] |
| 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 | 1.08 | pIC50 | 1.08 | - | logIC50 | Med Chem Res (2012) 21: 3984-3993 |
| 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 | 4.12 | pIC50 | 75100 | 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 | 4.12 | pIC50 | 75100 | nM | IC50 | J Nat Prod (2017) 80: 278-289 [PMID:28128562] |
| Androgen receptor/Androgen Receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1871] [GtoPdb: 628] [UniProtKB: P10275] | ||||||||
| ChEMBL | Antagonist activity at androgen receptor in human MDA-kb2 cells assessed as inhibition of DHT-induced luciferase activity by luciferase reporter gene assay | F | 5.01 | pIC50 | 9700 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 4706-4710 [PMID:19592245] |
| Arachidonate 15-lipoxygenase in Rabbit (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4358] [UniProtKB: P12530] | ||||||||
| ChEMBL | Inhibition of 15LOX in rabbit reticulocytes by EIA assay | B | 5.66 | pIC50 | 2200 | nM | IC50 | J Nat Prod (2007) 70: 859-862 [PMID:17378609] |
| 5-LOX/Arachidonate 5-lipoxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL215] [GtoPdb: 1385] [UniProtKB: P09917] | ||||||||
| ChEMBL | Inhibition of 5LOX in human PBMC by EIA assay | B | 5.57 | pIC50 | 2700 | nM | IC50 | J Nat Prod (2007) 70: 859-862 [PMID:17378609] |
| Arginase in Leishmania amazonensis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3108635] [UniProtKB: O96394] | ||||||||
| 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 | 4.26 | pIC50 | 55000 | nM | IC50 | J Nat Prod (2014) 77: 392-396 [PMID:24521209] |
| Aryl hydrocarbon receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3201] [GtoPdb: 2951] [UniProtKB: P35869] | ||||||||
| ChEMBL | Inhibition of aryl hydrocarbon receptor | B | 7.55 | pIC50 | 28 | nM | IC50 | Bioorg Med Chem (2007) 15: 5047-5060 [PMID:17544277] |
| Aryl sulfotransferase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4886] [UniProtKB: P17988] | ||||||||
| ChEMBL | Inhibition of rat liver SULT1A1-mediated oestradiol sulfonation incubated for 20 mins | B | 6.54 | pIC50 | 290 | nM | IC50 | Eur J Med Chem (2021) 213: 113037-113037 [PMID:33257172] |
| ABCG2/ATP-binding cassette sub-family G member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0] | ||||||||
| ChEMBL | Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining | B | 5.21 | pIC50 | 6200 | nM | IC50 | Bioorg Med Chem (2011) 19: 2090-2102 [PMID:21354800] |
| ChEMBL | Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining | B | 5.33 | pIC50 | 4700 | nM | IC50 | Bioorg Med Chem (2011) 19: 2090-2102 [PMID:21354800] |
| Beta-glucuronidase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2728] [UniProtKB: P08236] | ||||||||
| ChEMBL | Inhibition of beta-glucuronidase (unknown origin) | B | 4.44 | pIC50 | 36470 | nM | IC50 | Eur J Med Chem (2020) 187: 111921-111921 [PMID:31835168] |
| 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 | 4.83 | pIC50 | 14700 | nM | IC50 | Med Chem Res (2013) 22: 3061-3075 |
| 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 | 4.37 | pKi | 43100 | nM | Ki | Eur J Med Chem (2010) 45: 186-192 [PMID:19879672] |
| carbonic anhydrase 1/Carbonic anhydrase I in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL261] [GtoPdb: 2597] [UniProtKB: P00915] | ||||||||
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay | B | 5 | pKi | >10000 | nM | Ki | Bioorg Med Chem (2015) 23: 7219-7225 [PMID:26498393] |
| carbonic anhydrase 2/Carbonic anhydrase II in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL205] [GtoPdb: 3092] [UniProtKB: P00918] | ||||||||
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay | B | 5.02 | pKi | 9525.7 | nM | Ki | Bioorg Med Chem (2015) 23: 7219-7225 [PMID:26498393] |
| carbonic anhydrase 4/Carbonic anhydrase IV in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3729] [GtoPdb: 2599] [UniProtKB: P22748] | ||||||||
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay | B | 5 | pKi | >10000 | nM | Ki | Bioorg Med Chem (2015) 23: 7219-7225 [PMID:26498393] |
| carbonic anhydrase 7/Carbonic anhydrase VII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2326] [GtoPdb: 2749] [UniProtKB: P43166] | ||||||||
| GtoPdb | - | - | 7.6 | pKi | 25 | nM | Ki | Bioorg Med Chem (2015) 23: 7219-25 [PMID:26498393] |
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay | B | 7.6 | pKi | 25 | nM | Ki | Bioorg Med Chem (2015) 23: 7219-7225 [PMID:26498393] |
| carbonic anhydrase 12/Carbonic anhydrase XII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570] | ||||||||
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay | B | 6.84 | pKi | 145.9 | nM | Ki | Bioorg Med Chem (2015) 23: 7219-7225 [PMID:26498393] |
| 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 | 6.4 | pIC50 | 400 | 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] |
| CDGSH iron-sulfur domain-containing protein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1795168] [UniProtKB: Q9NZ45] | ||||||||
| ChEMBL | Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichia coli BL21 by Cheng-Prusoff analysis | B | 6.88 | pKi | 132 | nM | Ki | Bioorg Med Chem Lett (2016) 26: 5350-5353 [PMID:27687671] |
| ChEMBL | Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichia coli BL21 by scintillation proximity assay | B | 5.51 | pIC50 | 3100 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 5350-5353 [PMID:27687671] |
| 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 | 4.18 | pEC50 | 66100 | nM | EC50 | J Nat Prod (2004) 67: 416-420 [PMID:15043421] |
| cyclin dependent kinase 1/Cyclin-dependent kinase 1/cyclin B in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2094127] [GtoPdb: 1961] [UniProtKB: O95067, P06493, P14635, Q8WWL7] | ||||||||
| ChEMBL | Inhibition of cyclin-dependent kinase 1/cyclinB | B | 4.39 | pIC50 | 41000 | nM | IC50 | J Med Chem (2005) 48: 737-743 [PMID:15689157] |
| cyclin dependent kinase 5/Cyclin-dependent kinase 5/CDK5 activator 1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907600] [GtoPdb: 1977] [UniProtKB: Q00535, Q15078] | ||||||||
| ChEMBL | Inhibition of Cyclin-dependent kinase 5-p25nck5a | B | 4.29 | pIC50 | 51000 | nM | IC50 | J Med Chem (2005) 48: 737-743 [PMID:15689157] |
| cyclin dependent kinase 6/Cyclin-dependent kinase 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2508] [GtoPdb: 1978] [UniProtKB: Q00534] | ||||||||
| ChEMBL | Inhibition of human cyclin-dependent kinase 6 complex with a virus-encoded cyclin from herpesvirus saimiri (Vcyclin) | B | 4.66 | pIC50 | 22000 | nM | IC50 | J Med Chem (2005) 48: 737-743 [PMID:15689157] |
| ChEMBL | Inhibition of Homo sapiens (human) cyclin-dependent kinase 6 | B | 4.66 | pIC50 | 22000 | nM | IC50 | Med Chem Res (2010) 19: 817-835 |
| COX-1 /Cyclooxygenase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL221] [GtoPdb: 1375] [UniProtKB: P23219] | ||||||||
| ChEMBL | Inhibition of human platelet COX1 by EIA assay | B | 4 | pIC50 | >100000 | nM | IC50 | J Nat Prod (2007) 70: 859-862 [PMID:17378609] |
| COX-2 /Cyclooxygenase-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL230] [GtoPdb: 1376] [UniProtKB: P35354] | ||||||||
| ChEMBL | Inhibition of human recombinant COX2 expressed in insect Sf21 cells by EIA assay | B | 4 | pIC50 | >100000 | nM | IC50 | J Nat Prod (2007) 70: 859-862 [PMID:17378609] |
| CYP1B1/Cytochrome P450 1B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4878] [GtoPdb: 1320] [UniProtKB: Q16678] | ||||||||
| ChEMBL | Inhibition of human CYP1B1 by EROD assay | B | 7.33 | pIC50 | 47 | nM | IC50 | Bioorg Med Chem (2010) 18: 6310-6315 [PMID:20696580] |
| 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 | 5 | pIC50 | 10000 | nM | IC50 | J Med Chem (2015) 58: 7400-7408 [PMID:26322379] |
| dipeptidyl peptidase 4/Dipeptidyl peptidase IV in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL284] [GtoPdb: 1612] [UniProtKB: P27487] | ||||||||
| ChEMBL | Mixed type inhibition of DPP4 (unknown origin) using varying concentrations of GP-BAN as substrate assessed as inhibition constant | B | 4.84 | pKi | 14430 | nM | Ki | J Nat Prod (2023) 86: 1824-1831 [PMID:37337963] |
| ChEMBL | Inhibition of DPP4 in human plasma using GP-BAN as fluorescent substrate preincubated for 5 mins followed by substrate addition and measured for 20 mins by microplate reader analysis | B | 5.18 | pIC50 | 6670 | nM | IC50 | J Nat Prod (2023) 86: 1824-1831 [PMID:37337963] |
| ChEMBL | Inhibition of DPP4 (unknown origin) using Gly-Pro-AMC as substrate preincubated for 4 secs followed by substrate addition and measured after 30 mins by luminescence assay | B | 6.31 | pIC50 | 490 | nM | IC50 | Eur J Med Chem (2018) 151: 145-157 [PMID:29609120] |
| DNA polymerase eta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5542] [UniProtKB: Q9Y253] | ||||||||
| ChEMBL | Inhibition of C-terminal 6xHis-tagged human DNA polymerase eta (1 to 511 residues) expressed in Escherichia coli BL21 DE3 using 5'-IRD700-GCAGGTCGACTCCAAAG-3' primer/ 5'-TCGGTACCGGGTTAGCCTTTGGAGTCGACCTGC-3' template as DNA substrate incubated for 60 mins in presence of Mg2+ by bromophenol blue staining based assay | B | 4.9 | pIC50 | 12700 | nM | IC50 | Eur J Med Chem (2023) 248: 115044-115044 [PMID:36621139] |
| Enoyl-acyl-carrier protein reductase in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4150] [UniProtKB: Q965D5] | ||||||||
| ChEMBL | Inhibition of FabI | B | 4.7 | pIC50 | 20000 | nM | IC50 | J Med Chem (2006) 49: 3345-3353 [PMID:16722653] |
| Estradiol 17-beta-dehydrogenase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3181] [UniProtKB: P14061] | ||||||||
| ChEMBL | Inhibition of human recombinant 17beta-HSD1 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol | B | 5.98 | pIC50 | 1050 | nM | IC50 | J Med Chem (2008) 51: 4188-4199 [PMID:18533708] |
| hydroxysteroid 17-beta dehydrogenase 2/Estradiol 17-beta-dehydrogenase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2789] [GtoPdb: 3094] [UniProtKB: P37059] | ||||||||
| ChEMBL | Inhibition of human recombinant 17beta-HSD2 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol | B | 6.44 | pIC50 | 360 | nM | IC50 | J Med Chem (2008) 51: 4188-4199 [PMID:18533708] |
| ChEMBL | Inhibition of human 17beta-HSD2 expressed in HEK293 cell lysates incubated for 10 mins using [2,4,6,7-3H]-estradiol and NAD+ by scintillation counting method | B | 6.44 | pIC50 | 360 | nM | IC50 | J Nat Prod (2017) 80: 965-974 [PMID:28319389] |
| Estrogen-related receptor-α/Estrogen-related receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3429] [GtoPdb: 622] [UniProtKB: P11474] | ||||||||
| ChEMBL | Inverse agonist activity at human GAL4-DBD-fused ERRalpha-LBD transfected in human HepG2 cells assessed as disruption of interaction with PGC-1alpha after 24 hrs by dual luciferase reporter gene assay | B | 5.02 | pIC50 | 9640 | nM | IC50 | J Med Chem (2013) 56: 4631-4640 [PMID:23656512] |
| Glucose transporter 1/Glucose transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2535] [GtoPdb: 875] [UniProtKB: P11166] | ||||||||
| ChEMBL | Inhibition of GLUT1 in human MCF7 cells assessed as reduction in [3H]-DG uptake pretreated for 20 mins followed by [3H]-DG addition measured after 6 mins by liquid scintillation counting method | B | 5.4 | pIC50 | 4000 | nM | IC50 | Medchemcomm (2016) 7: 1716-1729 [PMID:28042452] |
| Glyoxalase I in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2424] [UniProtKB: Q04760] | ||||||||
| ChEMBL | Inhibition of human recombinant His-tagged Glyoxalase 1 expressed in Sf21-Baculovirus system | B | 4.69 | pIC50 | 20600 | nM | IC50 | Bioorg Med Chem (2008) 16: 3969-3975 [PMID:18258440] |
| 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 | 5.77 | pIC50 | 1714 | 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 | 4.01 | pIC50 | 97800 | 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 | 4.19 | pIC50 | 64700 | nM | IC50 | J Med Chem (1995) 38: 890-897 [PMID:7699704] |
| X-linked inhibitor of apoptosis/Inhibitor of apoptosis protein 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4198] [GtoPdb: 2790] [UniProtKB: P98170] | ||||||||
| ChEMBL | Displacement of fluorescent SM5F peptide from XIAP linker BIR3 domain after 3 hrs by fluorescence polarization assay | B | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem (2011) 19: 1002-1009 [PMID:21087868] |
| 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 | 5.6 | pIC50 | 2500 | 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 | 5.36 | pIC50 | 4400 | nM | IC50 | J Med Chem (2019) 62: 1443-1454 [PMID:30624931] |
| ABCC1/Multidrug resistance-associated protein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3004] [GtoPdb: 779] [UniProtKB: P33527] | ||||||||
| 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 | TP_TRANSPORTER: inhibition of LTC4 uptake in membrane vesicle from MRP1-expressing HeLa cells | F | 5.62 | pKi | 2400 | nM | Ki | Mol Pharmacol (2001) 59: 1171-1180 [PMID:11306701] |
| myeloperoxidase/Myeloperoxidase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2439] [GtoPdb: 2789] [UniProtKB: P05164] | ||||||||
| ChEMBL | Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed by H2O2 addition measured after 5 mins | B | 5.65 | pIC50 | 2240 | nM | IC50 | J Med Chem (2017) 60: 6563-6586 [PMID:28671460] |
| NADPH oxidase 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1250375] [GtoPdb: 3004] [UniProtKB: Q9NPH5] | ||||||||
| ChEMBL | Inhibition of NOX4 expressed in HEK293 FS cells assessed as H2O2 production by H2O2/Tyr/LPO assay | B | 5.92 | pIC50 | 1200 | nM | IC50 | J Med Chem (2010) 53: 6758-6762 [PMID:20731357] |
| 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 | 1.23 | pIC50 | 1.23 | - | logIC50 | Eur J Med Chem (2010) 45: 1724-1730 [PMID:20116898] |
| Neuraminidase in Influenza A virus (strain A/USSR/90/1977 H1N1) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3559643] [UniProtKB: P03469] | ||||||||
| ChEMBL | Inhibition of influenza A virus (A/California/07/2009(H1N1)) pdm09 neuraminidase using MUNANA substrate pre-incubated for 30 mins before substrate addition by fluorometric assay | B | 4.07 | pIC50 | 85200 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 4312-4317 [PMID:25096296] |
| ChEMBL | Inhibition of influenza A virus (A/Perth/16/2009(H3N2)) neuraminidase using MUNANA substrate pre-incubated for 30 mins before substrate addition by fluorometric assay | B | 4.37 | pIC50 | 42200 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 4312-4317 [PMID:25096296] |
| Neuraminidase in Influenza A virus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6135] [UniProtKB: B4URF0] | ||||||||
| ChEMBL | Noncompetitive inhibition of recombinant influenza A virus rvH1N1 A/Bervig_Mission/1/18 neuraminidase | B | 4.68 | pKi | 21100 | nM | Ki | Bioorg Med Chem (2009) 17: 6816-6823 [PMID:19729316] |
| ChEMBL | Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay | B | 4.23 | pIC50 | 58600 | 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 | 4.33 | pIC50 | 46400 | 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 | 4.42 | pIC50 | 38100 | nM | IC50 | Bioorg Med Chem (2008) 16: 7141-7147 [PMID:18640042] |
| ChEMBL | inhibition of Influenza A virus H3N2 neuraminidase | B | 4.42 | pIC50 | 38100 | nM | IC50 | Med Chem Res (2013) 22: 3485-3496 |
| ChEMBL | Noncompetitive inhibition of recombinant influenza A virus rvH1N1 A/Bervig_Mission/1/18 neuraminidase | B | 4.95 | pIC50 | 11200 | nM | IC50 | Bioorg Med Chem (2009) 17: 6816-6823 [PMID:19729316] |
| Pancreatic triacylglycerol lipase in Pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1687677] [UniProtKB: P00591] | ||||||||
| ChEMBL | Inhibition of porcine pancreatic lipase pre-incubated for 15 mins before p-nitrophenylbutyrate substrate addition by microplate reader based method | B | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 3455-3457 [PMID:26227773] |
| ChEMBL | Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins followed by substrate addition measured after 15 mins | B | 4.15 | pIC50 | >70000 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 2269-2274 [PMID:25935644] |
| Peroxisome proliferator-activated receptor-α/Peroxisome proliferator-activated receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL239] [GtoPdb: 593] [UniProtKB: Q07869] | ||||||||
| ChEMBL | Agonist activity at PPARalpha (unknown origin) | B | 4.81 | pEC50 | 15500 | nM | EC50 | Eur J Med Chem (2021) 221: 113535-113535 [PMID:33992930] |
| Peroxisome proliferator-activated receptor-γ/Peroxisome proliferator-activated receptor gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL235] [GtoPdb: 595] [UniProtKB: P37231] | ||||||||
| ChEMBL | Agonist activity at PPARgamma (unknown origin) | B | 4.64 | pIC50 | 23100 | nM | IC50 | Eur J Med Chem (2021) 221: 113535-113535 [PMID:33992930] |
| ABCB1/P-glycoprotein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183] | ||||||||
| ChEMBL | Binding affinity to ABCB1 nucleotide binding domain 2 | B | 5.17 | pKd | 6760.83 | nM | Kd | Eur J Med Chem (2011) 46: 4078-4088 [PMID:21723648] |
| ABCB1/P-glycoprotein 3 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2573] [GtoPdb: 768] [UniProtKB: P21447] | ||||||||
| ChEMBL | Binding affinity to nucleotide-binding domain (NBD2) of P-Glycoprotein | B | 5.17 | pKd | 6700 | nM | Kd | Bioorg Med Chem Lett (2001) 11: 75-77 [PMID:11140738] |
| Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
| ChEMBL | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54 | F | 4.52 | pIC50 | 30400 | nM | IC50 | J Med Chem (2006) 49: 3345-3353 [PMID:16722653] |
| 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 | 4.96 | pIC50 | 11000 | 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 | 4.98 | pIC50 | 10500 | 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 | 4.7 | pIC50 | >20000 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 2125-2129 [PMID:22300659] |
| ribosomal protein S6 kinase A3/Ribosomal protein S6 kinase alpha 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2345] [GtoPdb: 1528] [UniProtKB: P51812] | ||||||||
| ChEMBL | Inhibition of RSK2 expressed in human MCF7 cells incubated for 1 hrs by | B | 5.77 | pIC50 | 1710 | nM | IC50 | Eur J Med Chem (2023) 251: 115229-115229 [PMID:36898330] |
| 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] |
| 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 | 5.41 | pIC50 | 3900 | nM | IC50 | J Med Chem (2019) 62: 7589-7602 [PMID:30943030] |
| Sialidase in Clostridium perfringens (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5189] [UniProtKB: P10481] | ||||||||
| ChEMBL | Inhibition of Clostridium perfringens neuraminidase | B | 5.1 | pIC50 | 8000 | nM | IC50 | Bioorg Med Chem (2009) 17: 6816-6823 [PMID:19729316] |
| 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 | 4.39 | pIC50 | 40900 | 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 | 4.39 | pIC50 | 40738.03 | nM | IC50 | RSC Med Chem (2023) 14: 890-898 [PMID:37252098] |
| Tyrosinase in Agaricus bisporus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3318] [UniProtKB: O42713] | ||||||||
| ChEMBL | Inhibition of mushroom tyrosinase | B | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem (2009) 17: 6048-6053 [PMID:19615910] |
| tyrosinase/Tyrosinase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1973] [GtoPdb: 2643] [UniProtKB: P14679] | ||||||||
| ChEMBL | Inhibition of tyrosinase (unknown origin) | B | 4.19 | pIC50 | 65110 | nM | IC50 | Bioorg Med Chem Lett (2022) 65: 128722-128722 [PMID:35395370] |
| ChEMBL | Inhibition of tyrosinase (unknown origin) using L-tyrosine as substrate assessed as oxidation of L-tyrosine after 15 mins | B | 6 | pIC50 | 1000 | nM | IC50 | J Nat Prod (2016) 79: 281-292 [PMID:26841168] |
| 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 | 5.63 | pIC50 | 2320 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 1768-1770 [PMID:23411073] |
| YES proto-oncogene 1, Src family tyrosine kinase/Tyrosine-protein kinase YES in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2073] [GtoPdb: 2284] [UniProtKB: P07947] | ||||||||
| ChEMBL | Inhibition of YES (unknown origin) | B | 5.17 | pKi | 6770 | nM | Ki | Eur J Med Chem (2019) 166: 186-196 [PMID:30769179] |
| 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 | 5.97 | pIC50 | 1060 | nM | IC50 | J Nat Prod (1998) 61: 71-76 [PMID:9461655] |
| CYP2A13 in Human [GtoPdb: 1323] [UniProtKB: Q16696] | ||||||||
| GtoPdb | - | - | 6.92 | pKi | 120 | nM | Ki | Xenobiotica (2020) 50: 630-639 [PMID:31578905] |
| epidermal growth factor receptor in Human [GtoPdb: 1797] [UniProtKB: P00533] | ||||||||
| GtoPdb | - | - | 6.07 | pIC50 | 858 | nM | IC50 | J Nat Prod (1992) 55: 1529-60 [PMID:1479375] |
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]
