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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 |
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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 |
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 |
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] |
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 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 | 4.12 | 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] |
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] | ||||||||
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 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 | 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] |
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] |
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] |
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] |
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] |
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) 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] |
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]