quercetin [Ligand Id: 5346] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL50 (3'-hydroxykaempferol, C.i. 75670, Ci-75670, C.I. Natural Red 1, Corvitin, Cyanidenolon 1522, Korvitin, LDN 0052529, LDN-0052529, Lipoflavon, Meletin, NSC 57655, NSC-57655, NSC 9219, NSC-9219, Quercetin, Quercetin (constituent of ginkgo), Quercetine, Quercetol, Quertin, Quertine, Sophoretin, Xanthaurine)
  • 3-oxoacyl-acyl-carrier protein reductase in Plasmodium falciparum [ChEMBL: CHEMBL4513] [UniProtKB: Q965D6]
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  • acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Human [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303]
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  • A1 receptor/Adenosine A1 receptor in Rat [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
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  • A2A receptor/Adenosine A2a receptor in Rat [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543]
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  • A3 receptor/Adenosine A3 receptor in Human [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
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  • aldo-keto reductase family 1 member B/Aldose reductase in Human [ChEMBL: CHEMBL1900] [GtoPdb: 2768] [UniProtKB: P15121]
  • Aldose reductase in Pig [ChEMBL: CHEMBL4559] [UniProtKB: P80276]
  • Aldose reductase in Bovine [ChEMBL: CHEMBL3081] [UniProtKB: P16116]
  • aldo-keto reductase family 1 member B/Aldose reductase in Rat [ChEMBL: CHEMBL2622] [GtoPdb: 2768] [UniProtKB: P07943]
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  • ALK receptor tyrosine kinase/ALK tyrosine kinase receptor in Human [ChEMBL: CHEMBL4247] [GtoPdb: 1839] [UniProtKB: Q9UM73]
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  • Alpha-glucosidase MAL62 in Saccharomyces cerevisiae [ChEMBL: CHEMBL4357] [UniProtKB: P07265]
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  • 12S-LOX/Arachidonate 12-lipoxygenase in Human [ChEMBL: CHEMBL3687] [GtoPdb: 1387] [UniProtKB: P18054]
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  • 15-LOX-1/Arachidonate 15-lipoxygenase in Human [ChEMBL: CHEMBL2903] [GtoPdb: 1388] [UniProtKB: P16050]
  • Arachidonate 15-lipoxygenase in Rabbit [ChEMBL: CHEMBL4358] [UniProtKB: P12530]
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  • 15-LOX-2/Arachidonate 15-lipoxygenase, type II in Human [ChEMBL: CHEMBL2457] [GtoPdb: 1389] [UniProtKB: O15296]
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  • 5-LOX/Arachidonate 5-lipoxygenase in Human [ChEMBL: CHEMBL215] [GtoPdb: 1385] [UniProtKB: P09917]
  • 5-LOX/Arachidonate 5-lipoxygenase in Rat [ChEMBL: CHEMBL312] [GtoPdb: 1385] [UniProtKB: P12527]
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  • ABCG2/ATP-binding cassette sub-family G member 2 in Human [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0]
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  • chymotrypsinogen B1/Beta-chymotrypsin in Human [ChEMBL: CHEMBL4796] [GtoPdb: 3272] [UniProtKB: P17538]
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  • Beta-lactamase in Enterobacter cloacae [ChEMBL: CHEMBL2725] [UniProtKB: P05364]
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  • Beta-lactamase AmpC in Escherichia coli [ChEMBL: CHEMBL2026] [UniProtKB: P00811]
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  • beta-secretase 1/Beta-secretase 1 in Human [ChEMBL: CHEMBL4822] [GtoPdb: 2330] [UniProtKB: P56817]
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  • butyrylcholinesterase/Butyrylcholinesterase in Human [ChEMBL: CHEMBL1914] [GtoPdb: 2471] [UniProtKB: P06276]
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  • calcium/calmodulin-dependent protein kinase II beta subunit/CaM kinase II beta in Human [ChEMBL: CHEMBL4121] [GtoPdb: 1556] [UniProtKB: Q13554]
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  • carbonic anhydrase 1/Carbonic anhydrase I in Human [ChEMBL: CHEMBL261] [GtoPdb: 2597] [UniProtKB: P00915]
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  • carbonic anhydrase 2/Carbonic anhydrase II in Human [ChEMBL: CHEMBL205] [GtoPdb: 3092] [UniProtKB: P00918]
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  • carbonic anhydrase 4/Carbonic anhydrase IV in Human [ChEMBL: CHEMBL3729] [GtoPdb: 2599] [UniProtKB: P22748]
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  • carbonic anhydrase 9/Carbonic anhydrase IX in Human [ChEMBL: CHEMBL3594] [GtoPdb: 3055] [UniProtKB: Q16790]
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  • carbonic anhydrase 5A/Carbonic anhydrase VA in Human [ChEMBL: CHEMBL4789] [GtoPdb: 3093] [UniProtKB: P35218]
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  • carbonic anhydrase 7/Carbonic anhydrase VII in Human [ChEMBL: CHEMBL2326] [GtoPdb: 2749] [UniProtKB: P43166]
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  • carbonic anhydrase 12/Carbonic anhydrase XII in Human [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570]
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  • carbonic anhydrase 13/Carbonic anhydrase XIII in Mouse [ChEMBL: CHEMBL2186] [GtoPdb: 2748] [UniProtKB: Q9D6N1]
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  • carbonic anhydrase 14/Carbonic anhydrase XIV in Human [ChEMBL: CHEMBL3510] [GtoPdb: 2598] [UniProtKB: Q9ULX7]
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  • 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 [ChEMBL: CHEMBL2095191] [GtoPdb: 1550, 1551, 1549] [UniProtKB: P19784, P67870, P68400]
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  • casein kinase 2, alpha 1 polypeptide subunit/Casein kinase II alpha in Human [ChEMBL: CHEMBL3629] [GtoPdb: 1549] [UniProtKB: P68400]
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  • CCR4/C-C chemokine receptor type 4 in Human [ChEMBL: CHEMBL2414] [GtoPdb: 61] [UniProtKB: P51679]
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  • cyclin dependent kinase 5/Cell division protein kinase 5 in Rat [ChEMBL: CHEMBL5901] [GtoPdb: 1977] [UniProtKB: Q03114]
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  • cyclin dependent kinase 1/Cyclin-dependent kinase 1 in Human [ChEMBL: CHEMBL308] [GtoPdb: 1961] [UniProtKB: P06493]
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  • cyclin dependent kinase 2/Cyclin-dependent kinase 2 in Human [ChEMBL: CHEMBL301] [GtoPdb: 1973] [UniProtKB: P24941]
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  • cyclin dependent kinase 5/Cyclin-dependent kinase 5/CDK5 activator 1 in Human [ChEMBL: CHEMBL1907600] [GtoPdb: 1977] [UniProtKB: Q00535, Q15078]
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  • cyclin dependent kinase 6/Cyclin-dependent kinase 6 in Human [ChEMBL: CHEMBL2508] [GtoPdb: 1978] [UniProtKB: Q00534]
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  • CFTR/Cystic fibrosis transmembrane conductance regulator in Human [ChEMBL: CHEMBL4051] [GtoPdb: 707] [UniProtKB: P13569]
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  • D-alanine--D-alanine ligase in Helicobacter pylori (strain HPAG1) [ChEMBL: CHEMBL2366488] [UniProtKB: Q1CTD3]
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  • D-alanylalanine synthetase in Escherichia coli [ChEMBL: CHEMBL1956] [UniProtKB: P07862]
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  • death associated protein kinase 1/Death-associated protein kinase 1 in Human [ChEMBL: CHEMBL2558] [GtoPdb: 2002] [UniProtKB: P53355]
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  • dipeptidyl peptidase 4/Dipeptidyl peptidase IV in Human [ChEMBL: CHEMBL284] [GtoPdb: 1612] [UniProtKB: P27487]
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  • D4 receptor/Dopamine D4 receptor in Human [ChEMBL: CHEMBL219] [GtoPdb: 217] [UniProtKB: P21917]
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  • mitogen-activated protein kinase kinase 1/Dual specificity mitogen-activated protein kinase kinase 1 in Human [ChEMBL: CHEMBL3587] [GtoPdb: 2062] [UniProtKB: Q02750]
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  • Enoyl-[acyl-carrier-protein] reductase in Escherichia coli [ChEMBL: CHEMBL1857] [UniProtKB: P0AEK4]
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  • Enoyl-acyl-carrier protein reductase in Plasmodium falciparum [ChEMBL: CHEMBL4150] [UniProtKB: Q965D5]
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  • epidermal growth factor receptor/Epidermal growth factor receptor erbB1 in Human [ChEMBL: CHEMBL203] [GtoPdb: 1797] [UniProtKB: P00533]
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  • epoxide hydrolase 2/Epoxide hydratase in Human [ChEMBL: CHEMBL2409] [GtoPdb: 2970] [UniProtKB: P34913]
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  • hydroxysteroid 17-beta dehydrogenase 2/Estradiol 17-beta-dehydrogenase 2 in Human [ChEMBL: CHEMBL2789] [GtoPdb: 3094] [UniProtKB: P37059]
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  • Fatty acid synthase in Plasmodium falciparum [ChEMBL: CHEMBL4512] [UniProtKB: Q965D7]
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  • protein tyrosine kinase 2/Focal adhesion kinase 1 in Human [ChEMBL: CHEMBL2695] [GtoPdb: 2180] [UniProtKB: Q05397]
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  • Glutathione reductase in Saccharomyces cerevisiae S288c [ChEMBL: CHEMBL4119] [UniProtKB: P41921]
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  • glycogen synthase kinase 3 beta/Glycogen synthase kinase-3 beta in Human [ChEMBL: CHEMBL262] [GtoPdb: 2030] [UniProtKB: P49841]
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  • MET proto-oncogene, receptor tyrosine kinase/Hepatocyte growth factor receptor in Human [ChEMBL: CHEMBL3717] [GtoPdb: 1815] [UniProtKB: P08581]
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  • Human immunodeficiency virus type 1 integrase in Human immunodeficiency virus 1 [ChEMBL: CHEMBL3471] [UniProtKB: Q7ZJM1]
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  • Hypoxia-inducible factor 1-alpha inhibitor in Human [ChEMBL: CHEMBL5909] [UniProtKB: Q9NWT6]
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  • Insulin-like growth factor I receptor in Human [ChEMBL: CHEMBL1957] [GtoPdb: 1801] [UniProtKB: P08069]
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  • CXCR1/Interleukin-8 receptor A in Human [ChEMBL: CHEMBL4029] [GtoPdb: 68] [UniProtKB: P25024]
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  • elastase, neutrophil expressed/Leukocyte elastase in Human [ChEMBL: CHEMBL248] [GtoPdb: 2358] [UniProtKB: P08246]
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  • Liver glycogen phosphorylase in Human [ChEMBL: CHEMBL2568] [UniProtKB: P06737]
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  • CD38/Lymphocyte differentiation antigen CD38 in Human [ChEMBL: CHEMBL4660] [GtoPdb: 2766] [UniProtKB: P28907]
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  • lysine demethylase 1A/Lysine-specific histone demethylase 1 in Human [ChEMBL: CHEMBL6136] [GtoPdb: 2669] [UniProtKB: O60341]
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  • Malate dehydrogenase in Thermus thermophilus [ChEMBL: CHEMBL4255] [UniProtKB: P10584]
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  • maltase-glucoamylase/Maltase-glucoamylase in Human [ChEMBL: CHEMBL2074] [GtoPdb: 2627] [UniProtKB: O43451]
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  • MMP12/Matrix metalloproteinase 12 in Human [ChEMBL: CHEMBL4393] [GtoPdb: 1636] [UniProtKB: P39900]
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  • MMP13/Matrix metalloproteinase 13 in Human [ChEMBL: CHEMBL280] [GtoPdb: 1637] [UniProtKB: P45452]
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  • MMP2/Matrix metalloproteinase-2 in Human [ChEMBL: CHEMBL333] [GtoPdb: 1629] [UniProtKB: P08253]
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  • MMP3/Matrix metalloproteinase 3 in Human [ChEMBL: CHEMBL283] [GtoPdb: 1630] [UniProtKB: P08254]
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  • MMP9/Matrix metalloproteinase 9 in Human [ChEMBL: CHEMBL321] [GtoPdb: 1633] [UniProtKB: P14780]
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  • ABCC1/Multidrug resistance-associated protein 1 in Human [ChEMBL: CHEMBL3004] [GtoPdb: 779] [UniProtKB: P33527]
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  • Neuraminidase in Influenza A virus (A/Puerto Rico/8/1934(H1N1)) [ChEMBL: CHEMBL2051] [UniProtKB: P03468]
  • Neuraminidase in Influenza A virus [ChEMBL: CHEMBL6135] [UniProtKB: B4URF0]
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  • Inducible NOS/Nitric oxide synthase, inducible in Mouse [ChEMBL: CHEMBL3464] [GtoPdb: 1250] [UniProtKB: P29477]
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  • NUAK family kinase 1/NUAK family SNF1-like kinase 1 in Human [ChEMBL: CHEMBL5784] [GtoPdb: 2129] [UniProtKB: O60285]
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  • phosphodiesterase 2A/Phosphodiesterase 2A in Rat [ChEMBL: CHEMBL4650] [GtoPdb: 1297] [UniProtKB: Q01062]
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  • sPLA2-1B/Phospholipase A2 group 1B in Human [ChEMBL: CHEMBL4426] [GtoPdb: 1416] [UniProtKB: P04054]
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  • phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma/PI3-kinase p110-gamma subunit in Human [ChEMBL: CHEMBL3267] [GtoPdb: 2156] [UniProtKB: P48736]
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  • phosphoinositide-3-kinase regulatory subunit 1/PI3-kinase p85-alpha subunit in Human [ChEMBL: CHEMBL2506] [GtoPdb: 2503] [UniProtKB: P27986]
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  • prolyl endopeptidase/Prolyl endopeptidase in Human [ChEMBL: CHEMBL3202] [GtoPdb: 2395] [UniProtKB: P48147]
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  • proteasome 20S subunit beta 5/Proteasome Macropain subunit MB1 in Human [ChEMBL: CHEMBL4662] [GtoPdb: 2406] [UniProtKB: P28074]
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  • protein kinase N1/Protein kinase N1 in Human [ChEMBL: CHEMBL3384] [GtoPdb: 1520] [UniProtKB: Q16512]
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  • protein tyrosine phosphatase non-receptor type 1/Protein-tyrosine phosphatase 1B in Human [ChEMBL: CHEMBL335] [GtoPdb: 2976] [UniProtKB: P18031]
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  • CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/Replicase polyprotein 1ab in SARS coronavirus [ChEMBL: CHEMBL5118] [GtoPdb: 3125, 3139, 3206] [UniProtKB: P0C6X7]
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  • Sarcoplasmic/endoplasmic reticulum calcium ATP-ase in Rabbit [ChEMBL: CHEMBL4693] [UniProtKB: P04191]
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  • AKT serine/threonine kinase 1/Serine/threonine-protein kinase AKT in Human [ChEMBL: CHEMBL4282] [GtoPdb: 1479] [UniProtKB: P31749]
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  • aurora kinase B/Serine/threonine-protein kinase Aurora-B in Human [ChEMBL: CHEMBL2185] [GtoPdb: 1937] [UniProtKB: Q96GD4]
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  • B-Raf proto-oncogene, serine/threonine kinase/Serine/threonine-protein kinase B-raf in Human [ChEMBL: CHEMBL5145] [GtoPdb: 1943] [UniProtKB: P15056]
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  • NIMA related kinase 2/Serine/threonine-protein kinase NEK2 in Human [ChEMBL: CHEMBL3835] [GtoPdb: 2117] [UniProtKB: P51955]
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  • NIMA related kinase 6/Serine/threonine-protein kinase NEK6 in Human [ChEMBL: CHEMBL4309] [GtoPdb: 2121] [UniProtKB: Q9HC98]
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  • Pim-1 proto-oncogene, serine/threonine kinase/Serine/threonine-protein kinase PIM1 in Human [ChEMBL: CHEMBL2147] [GtoPdb: 2158] [UniProtKB: P11309]
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  • polo like kinase 1/Serine/threonine-protein kinase PLK1 in Human [ChEMBL: CHEMBL3024] [GtoPdb: 2168] [UniProtKB: P53350]
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  • 5-HT1A receptor/Serotonin 1a (5-HT1a) receptor in Human [ChEMBL: CHEMBL214] [GtoPdb: 1] [UniProtKB: P08908]
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  • TRPC5/Short transient receptor potential channel 5 in Human [ChEMBL: CHEMBL1250411] [GtoPdb: 490] [UniProtKB: Q9UL62]
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  • Glucose transporter 2/Solute carrier family 2, facilitated glucose transporter member 2 in Human [ChEMBL: CHEMBL5873] [GtoPdb: 876] [UniProtKB: P11168]
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  • Glucose transporter 4/Solute carrier family 2, facilitated glucose transporter member 4 in Rat [ChEMBL: CHEMBL3286066] [GtoPdb: 878] [UniProtKB: P19357]
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  • coagulation factor II, thrombin/Thrombin in Human [ChEMBL: CHEMBL204] [GtoPdb: 2362] [UniProtKB: P00734]
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  • LCK proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase LCK in Human [ChEMBL: CHEMBL258] [GtoPdb: 2053] [UniProtKB: P06239]
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  • fms related receptor tyrosine kinase 3/Tyrosine-protein kinase receptor FLT3 in Human [ChEMBL: CHEMBL1974] [GtoPdb: 1807] [UniProtKB: P36888]
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  • ret proto-oncogene/Tyrosine-protein kinase receptor RET in Human [ChEMBL: CHEMBL2041] [GtoPdb: 2185] [UniProtKB: P07949]
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  • AXL receptor tyrosine kinase/Tyrosine-protein kinase receptor UFO in Human [ChEMBL: CHEMBL4895] [GtoPdb: 1835] [UniProtKB: P30530]
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  • SRC proto-oncogene, non-receptor tyrosine kinase/Tyrosine-protein kinase SRC in Human [ChEMBL: CHEMBL267] [GtoPdb: 2206] [UniProtKB: P12931]
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  • spleen associated tyrosine kinase/Tyrosine-protein kinase SYK in Human [ChEMBL: CHEMBL2599] [GtoPdb: 2230] [UniProtKB: P43405]
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  • YES proto-oncogene 1, Src family tyrosine kinase/Tyrosine-protein kinase YES in Human [ChEMBL: CHEMBL2073] [GtoPdb: 2284] [UniProtKB: P07947]
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  • Urease subunit alpha/Urease subunit beta in Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori) [ChEMBL: CHEMBL3885651] [UniProtKB: P14916, P69996]
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  • plasminogen activator, urokinase/Urokinase-type plasminogen activator in Human [ChEMBL: CHEMBL3286] [GtoPdb: 2393] [UniProtKB: P00749]
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  • kinase insert domain receptor/Vascular endothelial growth factor receptor 2 in Human [ChEMBL: CHEMBL279] [GtoPdb: 1813] [UniProtKB: P35968]
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  • V2 receptor/Vasopressin V2 receptor in Human [ChEMBL: CHEMBL1790] [GtoPdb: 368] [UniProtKB: P30518]
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  • xanthine dehydrogenase/Xanthine dehydrogenase in Human [ChEMBL: CHEMBL1929] [GtoPdb: 2646] [UniProtKB: P47989]
  • Xanthine dehydrogenase in Bovine [ChEMBL: CHEMBL3649] [UniProtKB: P80457]
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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 5.27 pIC50 5400 nM IC50 J Med Chem (2006) 49: 3345-3353 [PMID:16722653]
Ecto-5'-Nucleotidase/5`-nucleotidase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075214] [GtoPdb: 1232] [UniProtKB: P21588]
ChEMBL Inhibition of rat ecto-5'-nucleotidase expressed in Sf9 cells by capillary electrophoresis method B 7.34 pKi 45.3 nM Ki J Med Chem (2010) 53: 2076-2086 [PMID:20146483]
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 38300 nM Ki Eur J Med Chem (2010) 45: 186-192 [PMID:19879672]
A1 receptor/Adenosine A1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
ChEMBL Displacement of specific [3H]PIA binding from adenosine A1 receptor in rat brain membranes. B 5.61 pKi 2470 nM Ki J Med Chem (1996) 39: 781-788 [PMID:8576921]
A2A receptor/Adenosine A2a receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543]
ChEMBL Affinity at Adenosine A2A receptor in rat striatal membranes by [3H]- CGS 21680 displacement. B 5.16 pKi 6990 nM Ki J Med Chem (1996) 39: 781-788 [PMID:8576921]
A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
ChEMBL Displacement of [125I]AB-MECA binding to human Adenosine A3 receptor expressed in HEK293 cells B 4.52 pKi 30000 nM Ki J Med Chem (1996) 39: 781-788 [PMID:8576921]
Aldehyde reductase in Pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4049] [UniProtKB: P50578]
ChEMBL Inhibition of pig ALR1 B 4.42 pIC50 38400 nM IC50 Bioorg Med Chem (2009) 17: 1244-1250 [PMID:19121944]
Aldehyde reductase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3871] [UniProtKB: P51635]
ChEMBL In vitro inhibitory activity against aldehyde reductase 1 (ALR1) from rat kidney. B 5.63 pIC50 2320 nM IC50 J Med Chem (2003) 46: 1419-1428 [PMID:12672241]
Aldo-keto reductase family 1 member C21 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075270] [UniProtKB: Q91WR5]
ChEMBL Inhibition of mouse recombinant AKR1C21 B 4.96 pKi 11000 nM Ki Bioorg Med Chem (2008) 16: 3245-3254 [PMID:18165015]
ChEMBL Inhibition of mouse recombinant AKR1C21 B 5.16 pIC50 6900 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 using DL-glyceraldehyde, HRAR and beta-NADPH incubated for 10 mins by spectrophotometry B 5.54 pIC50 2900 nM IC50 Bioorg Med Chem Lett (2014) 24: 4407-4409 [PMID:25152999]
ChEMBL Inhibition of aldose reductase by spectrophotometric analysis B 5.55 pIC50 2850 nM IC50 Bioorg Med Chem Lett (2011) 21: 1222-1226 [PMID:21256748]
ChEMBL Inhibition of human recombinant aldose reductase B 5.66 pIC50 2200 nM IC50 Bioorg Med Chem (2008) 16: 3245-3254 [PMID:18165015]
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 5.66 pIC50 2200 nM IC50 Bioorg Med Chem (2012) 20: 1251-1258 [PMID:22261024]
ChEMBL Inhibition of cataracted human eye lens aldose reductase B 7.83 pIC50 14.8 nM IC50 Bioorg Med Chem (2008) 16: 10085-10090 [PMID:18976928]
Aldose reductase in Pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4559] [UniProtKB: P80276]
ChEMBL Inhibition of pig lens aldose reductase by spectrophotometry B 4.3 pIC50 50100 nM IC50 J Nat Prod (1996) 59: 443-445 [PMID:8699190]
Aldose reductase in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3081] [UniProtKB: P16116]
ChEMBL Evaluated for inhibition of Aldose reductase 2 B 4.4 pIC50 39900 nM IC50 J Med Chem (1996) 39: 4396-4405 [PMID:8893834]
ChEMBL Inhibition of ALR2 (aldose reductase) of bovine lens B 4.48 pIC50 32870 nM IC50 J Med Chem (1999) 42: 1881-1893 [PMID:10354396]
ChEMBL The compound was tested for Inhibitory effect against ALR1 in bovine kidneys B 4.99 pIC50 10340 nM IC50 J Med Chem (1999) 42: 1881-1893 [PMID:10354396]
ChEMBL Inhibition of Aldehyde reductase 2 B 4.99 pIC50 10300 nM IC50 J Med Chem (1996) 39: 4396-4405 [PMID:8893834]
ChEMBL Inhibition of aldose reductase from calf lense by AR assay B 5.55 pIC50 2850 nM IC50 Bioorg Med Chem (2010) 18: 3020-3025 [PMID:20395149]
ChEMBL Inhibition of bovine lens aldose reductase using DL-glyceraldehyde as substrate assessed as NADPH oxidation measured for 10 mins by spectrophotometric analysis B 5.55 pIC50 2850 nM IC50 Bioorg Med Chem (2013) 21: 4301-4310 [PMID:23683835]
aldo-keto reductase family 1 member B/Aldose reductase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2622] [GtoPdb: 2768] [UniProtKB: P07943]
ChEMBL In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. B 5.08 pIC50 8320 nM IC50 J Med Chem (2003) 46: 1419-1428 [PMID:12672241]
ChEMBL Inhibition of ALR2 in Sprague-Dawley Albino rat lens B 5.11 pIC50 7810 nM IC50 J Med Chem (2007) 50: 4917-4927 [PMID:17845019]
ChEMBL In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. B 5.11 pIC50 7810 nM IC50 J Med Chem (2003) 46: 1419-1428 [PMID:12672241]
ChEMBL Inhibitory concentration to aldose reductase (ALR-2) obtained from rat lens B 5.11 pIC50 7810 nM IC50 J Med Chem (2001) 44: 4359-4369 [PMID:11728182]
ChEMBL In vitro inhibitory activity against Aldose reductase from rat lens B 5.11 pIC50 7700 nM IC50 J Med Chem (1991) 34: 3229-3234 [PMID:1956041]
ChEMBL Inhibition of rat lens aldose reductase B 5.14 pIC50 7210 nM IC50 J Nat Prod (2008) 71: 713-715 [PMID:18298080]
ChEMBL Inhibition of ALR1 in Sprague-Dawley Albino rat kidney B 5.63 pIC50 2320 nM IC50 J Med Chem (2007) 50: 4917-4927 [PMID:17845019]
ChEMBL In vitro inhibitory activity against L-Hexonate Dehydrogenase from rat kidney B 6 pIC50 1000 nM IC50 J Med Chem (1991) 34: 3229-3234 [PMID:1956041]
ALK receptor tyrosine kinase/ALK tyrosine kinase receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4247] [GtoPdb: 1839] [UniProtKB: Q9UM73]
ChEMBL Inhibition of ALK (unknown origin) B 5.48 pIC50 3320 nM IC50 J Nat Prod (2014) 77: 49-56 [PMID:24328302]
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 0.84 pIC50 0.84 - logIC50 Med Chem Res (2012) 21: 3984-3993
Alpha-synuclein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6152] [UniProtKB: P37840]
ChEMBL Inhibition of human alpha-synuclein filament formation expressed in Escherichia coli BL21(DE3) cells incubated for 72 hrs by thioflavin S based fluorescence assay B 4.7 pIC50 20000 nM IC50 Eur J Med Chem (2019) 167: 10-36 [PMID:30743095]
12S-LOX/Arachidonate 12-lipoxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3687] [GtoPdb: 1387] [UniProtKB: P18054]
ChEMBL Inhibition of 12-hLO B 6.36 pIC50 440 nM IC50 Bioorg Med Chem (2007) 15: 7408-7425 [PMID:17869117]
15-LOX-1/Arachidonate 15-lipoxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2903] [GtoPdb: 1388] [UniProtKB: P16050]
ChEMBL Inhibition of 15-hLO1 B 5.66 pIC50 2200 nM IC50 Bioorg Med Chem (2007) 15: 7408-7425 [PMID:17869117]
Arachidonate 15-lipoxygenase in Rabbit (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4358] [UniProtKB: P12530]
ChEMBL Inhibition of rabbit reticulocytes arachidonate 15-lipoxygenase B 4.43 pIC50 37000 nM IC50 Eur J Med Chem (2011) 46: 5237-5257 [PMID:21937153]
ChEMBL Inhibition of 15LOX in rabbit reticulocytes by EIA assay B 6.37 pIC50 430 nM IC50 J Nat Prod (2007) 70: 859-862 [PMID:17378609]
15-LOX-2/Arachidonate 15-lipoxygenase, type II in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2457] [GtoPdb: 1389] [UniProtKB: O15296]
ChEMBL Inhibition of 15-hLO2 B 4 pIC50 >100000 nM IC50 Bioorg Med Chem (2007) 15: 7408-7425 [PMID:17869117]
5-LOX/Arachidonate 5-lipoxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL215] [GtoPdb: 1385] [UniProtKB: P09917]
ChEMBL Inhibition of human PMNL 5-LOX using arachidonic acid as substrate after 5 mins by HPLC method B 4.62 pIC50 24000 nM IC50 Bioorg Med Chem (2019) 27: 3745-3759 [PMID:31331653]
ChEMBL Inhibition of 5-LOX-mediated LTB4 production in human neutrophils using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition measured after 8 mins by enzyme immunoassay B 5.4 pIC50 4000 nM IC50 Eur J Med Chem (2014) 72: 137-145 [PMID:24368208]
ChEMBL Inhibition of 5-LO activity in ionophore A23187 and arachidonic-stimulated human intact PMNL F 5.52 pIC50 3000 nM IC50 J Med Chem (2007) 50: 2640-2646 [PMID:17461565]
ChEMBL Inhibition of 5-LOX in polymorphonuclear leucocytes (unknown origin) B 5.52 pIC50 3000 nM IC50 Eur J Med Chem (2019) 175: 215-233 [PMID:31082765]
ChEMBL Inhibition of 5LOX in human PBMC by EIA assay B 6.1 pIC50 790 nM IC50 J Nat Prod (2007) 70: 859-862 [PMID:17378609]
5-LOX/Arachidonate 5-lipoxygenase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL312] [GtoPdb: 1385] [UniProtKB: P12527]
ChEMBL In vitro inhibition of LTB4 production was measured in rat blood F 5 pIC50 10000 nM IC50 J Med Chem (1991) 34: 1028-1036 [PMID:1848292]
ChEMBL In vitro inhibition of 5-lipoxygenase in rat (peritoneal assay) B 6.3 pIC50 500 nM IC50 J Med Chem (1990) 33: 2744-2749 [PMID:2213827]
ChEMBL Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation) B 6.4 pIC50 400 nM IC50 J Med Chem (1990) 33: 2744-2749 [PMID:2213827]
ChEMBL In vitro inhibition of 5-lipoxygenase (5-lo) from the 20000 g supernatant of RBI-1 cells B 6.52 pIC50 300 nM IC50 J Med Chem (1991) 34: 2158-2165 [PMID:2066989]
ChEMBL In vitro inhibitory activity against RBL-1 5-LO B 6.52 pIC50 300 nM IC50 J Med Chem (1987) 30: 574-580 [PMID:3820229]
ChEMBL In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined B 6.7 pIC50 200 nM IC50 J Med Chem (1993) 36: 3904-3909 [PMID:8254620]
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 5.4 pIC50 4000 nM IC50 J Nat Prod (2014) 77: 392-396 [PMID:24521209]
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 5.12 pIC50 7600 nM IC50 Bioorg Med Chem (2011) 19: 2090-2102 [PMID:21354800]
ChEMBL Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining B 5.16 pIC50 6900 nM IC50 Bioorg Med Chem (2011) 19: 2090-2102 [PMID:21354800]
ChEMBL Activation of ABCG2 (unknown origin) ATPase activity expressed in baculovirus infected high five cell membranes by ascorbic acid/ammonia molybdate reaction-based colorimetric analysis B 6.56 pEC50 278 nM EC50 J Med Chem (2017) 60: 4474-4495 [PMID:28471656]
ChEMBL Activation of ABCG2 ATPase activity (unknown origin) expressed in baculovirus infected high5 cell membranes after 20 mins by ascorbic acid ammonia molybdate reaction based colorimetric assay B 6.56 pEC50 278 nM EC50 Eur J Med Chem (2017) 139: 587-611 [PMID:28841513]
ChEMBL Activation of recombinant human ABCG2 ATPase activity expressed in baculovirus infected High five insect cell membranes after 20 mins by ascorbic acid ammonia molybdate reaction-based colorimetric method B 7.52 pEC50 30 nM EC50 J Med Chem (2018) 61: 3389-3408 [PMID:29547272]
Beta amyloid A4 protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2487] [UniProtKB: P05067]
ChEMBL Inhibition of wild type Amyloid beta (1 to 42) (unknown origin) aggregation by Thioflavin-T fluorescence assay B 4.82 pIC50 15300 nM IC50 Bioorg Med Chem (2016) 24: 304-313 [PMID:26719209]
ChEMBL Inhibition of amyloid beta (1 to 42) aggregation (unknown origin) B 5.1 pIC50 7940 nM IC50 Bioorg Med Chem (2017) 25: 1195-1201 [PMID:28043778]
chymotrypsinogen B1/Beta-chymotrypsin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4796] [GtoPdb: 3272] [UniProtKB: P17538]
ChEMBL Inhibitory activity against Chymotrypsinogen from Thermus flavus B 4 pIC50 100000 nM IC50 J Med Chem (2003) 46: 1478-1483 [PMID:12672248]
Beta-lactamase in Enterobacter cloacae (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2725] [UniProtKB: P05364]
ChEMBL Inhibition of Enterobacter cloacae beta-lactamase incubated for 10 mins followed by nitrocefin substrate challenge and measured for 5 mins by spectrophotometric analysis B 4.07 pIC50 85000 nM IC50 ACS Med Chem Lett (2019) 10: 923-928 [PMID:31223449]
Beta-lactamase AmpC in Escherichia coli (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2026] [UniProtKB: P00811]
ChEMBL Inhibitory activity against Amp C beta-Lactamase B 5.4 pIC50 4000 nM IC50 J Med Chem (2003) 46: 4265-4272 [PMID:13678405]
ChEMBL Inhibitory activity against Beta-lactamase from DMSO stock was determined B 5.4 pIC50 4000 nM IC50 J Med Chem (2003) 46: 4265-4272 [PMID:13678405]
ChEMBL Inhibitory activity against beta-lactamase B 5.4 pIC50 4000 nM IC50 J Med Chem (2002) 45: 1712-1722 [PMID:11931626]
beta-secretase 1/Beta-secretase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4822] [GtoPdb: 2330] [UniProtKB: P56817]
ChEMBL Noncompetitive inhibition of human recombinant BACE1 after 60 mins by Dixon plot analysis B 4.85 pKi 14000 nM Ki Bioorg Med Chem Lett (2010) 20: 3211-3215 [PMID:20462757]
ChEMBL Inhibition of human recombinant BACE1 after 60 mins by FRET assay B 4.97 pIC50 10820 nM IC50 Bioorg Med Chem Lett (2010) 20: 3211-3215 [PMID:20462757]
ChEMBL Inhibition of human recombinant BACE1 by fluorescence resonance energy transfer (FRET) assay B 5.19 pIC50 6500 nM IC50 Bioorg Med Chem (2015) 23: 3126-3134 [PMID:26003344]
ChEMBL Inhibition of recombinant human BACE1 using Rh-EVNLDAEFK-Quencher as substrate after 60 mins by FRET assay B 5.25 pIC50 5600 nM IC50 Bioorg Med Chem (2017) 25: 3964-3970 [PMID:28576634]
ChEMBL Inhibition of BACE1 (unknown origin) B 5.27 pIC50 5400 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 4.17 pKi 68000 nM Ki Eur J Med Chem (2010) 45: 186-192 [PMID:19879672]
Calmodulin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6093] [UniProtKB: P0DP23]
ChEMBL Inhibition of human recombinant calmodulin assessed as inhibition of calmodulin-sensitive cAMP phosphodiesterase activation after 15 mins by spectrophotometric analysis B 4.89 pIC50 12970 nM IC50 Bioorg Med Chem (2011) 19: 542-546 [PMID:21129983]
calcium/calmodulin-dependent protein kinase II beta subunit/CaM kinase II beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4121] [GtoPdb: 1556] [UniProtKB: Q13554]
ChEMBL Inhibition of CAMK2 using autocamtide-2 as substrate after 30 mins by PKLight assay B 5.52 pIC50 3000 nM IC50 Bioorg Med Chem (2011) 19: 4710-4720 [PMID:21798748]
carbonic anhydrase 1/Carbonic anhydrase I in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL261] [GtoPdb: 2597] [UniProtKB: P00915]
ChEMBL Inhibition of human CA1 by stopped-flow CO2 hydration assay B 5.57 pKi 2680 nM Ki Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318]
carbonic anhydrase 2/Carbonic anhydrase II in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL205] [GtoPdb: 3092] [UniProtKB: P00918]
ChEMBL Inhibition of human CA2 by stopped-flow CO2 hydration assay B 5.6 pKi 2540 nM Ki Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318]
Carbonic anhydrase III in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2885] [UniProtKB: P07451]
ChEMBL Inhibition of human CA3 by stopped-flow CO2 hydration assay B 5.09 pKi 8100 nM Ki Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318]
carbonic anhydrase 4/Carbonic anhydrase IV in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3729] [GtoPdb: 2599] [UniProtKB: P22748]
ChEMBL Inhibition of human CA4 by stopped-flow CO2 hydration assay B 5.1 pKi 7890 nM Ki Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318]
carbonic anhydrase 9/Carbonic anhydrase IX in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3594] [GtoPdb: 3055] [UniProtKB: Q16790]
ChEMBL Inhibition of human CA9 by stopped-flow CO2 hydration assay B 5.15 pKi 7000 nM Ki Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318]
carbonic anhydrase 5A/Carbonic anhydrase VA in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4789] [GtoPdb: 3093] [UniProtKB: P35218]
ChEMBL Inhibition of human CA5A by stopped-flow CO2 hydration assay B 5.17 pKi 6810 nM Ki Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318]
Carbonic anhydrase VB in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3969] [UniProtKB: Q9Y2D0]
ChEMBL Inhibition of human CA5B by stopped-flow CO2 hydration assay B 4.92 pKi 11900 nM Ki Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318]
Carbonic anhydrase VI in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3025] [UniProtKB: P23280]
ChEMBL Inhibition of human CA6 by stopped-flow CO2 hydration assay B 5.21 pKi 6170 nM Ki Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318]
carbonic anhydrase 7/Carbonic anhydrase VII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2326] [GtoPdb: 2749] [UniProtKB: P43166]
ChEMBL Inhibition of human CA7 by stopped-flow CO2 hydration assay B 5.32 pKi 4840 nM Ki Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318]
carbonic anhydrase 12/Carbonic anhydrase XII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570]
ChEMBL Inhibition of human CA12 by stopped-flow CO2 hydration assay B 5.03 pKi 9390 nM Ki Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318]
carbonic anhydrase 13/Carbonic anhydrase XIII in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2186] [GtoPdb: 2748] [UniProtKB: Q9D6N1]
ChEMBL Inhibition of mouse CA13 by stopped-flow CO2 hydration assay B 5.04 pKi 9030 nM Ki Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318]
carbonic anhydrase 14/Carbonic anhydrase XIV in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3510] [GtoPdb: 2598] [UniProtKB: Q9ULX7]
ChEMBL Inhibition of human CA14 by stopped-flow CO2 hydration assay B 5.27 pKi 5410 nM Ki Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318]
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 CK2 using RRRADDSDDDDD as substrate after 30 mins by PKLight assay B 5.25 pIC50 5600 nM IC50 Bioorg Med Chem (2011) 19: 4710-4720 [PMID:21798748]
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 recombinant human CK2 activity assessed as [gamma-32P]ATP incorporation into substrate peptide after 20 mins in presence of 50 uM ATP B 6.26 pIC50 550 nM IC50 Eur J Med Chem (2011) 46: 870-876 [PMID:21276643]
ChEMBL Inhibition of CK2 (unknown origin) B 6.26 pIC50 550 nM IC50 Bioorg Med Chem (2013) 21: 6681-6689 [PMID:24011954]
casein kinase 2, alpha 1 polypeptide subunit/Casein kinase II alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3629] [GtoPdb: 1549] [UniProtKB: P68400]
ChEMBL Inhibitory constant against Zea mays CK2alpha B 5.93 pKi 1180 nM Ki Biochem J (2003) 374: 639-646 [PMID:12816539]
ChEMBL Inhibition of CK2alpha (unknown origin) B 5.93 pKi 1180 nM Ki Eur J Med Chem (2019) 181: 111581-111581 [PMID:31400711]
CCR4/C-C chemokine receptor type 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2414] [GtoPdb: 61] [UniProtKB: P51679]
ChEMBL Inhibition of CCL22-stimulated CCR4 in human HTLA cells pre-incubated for 20 mins with Tween-80-treated compound solution measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay B 4 pIC50 >100000 nM IC50 J Med Chem (2013) 56: 2406-2414 [PMID:23437772]
ChEMBL Inhibition of CCL22-stimulated CCR4 in human HTLA cells pre-incubated for 20 mins with centrifuged compound solution measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay B 4 pIC50 100000 nM IC50 J Med Chem (2013) 56: 2406-2414 [PMID:23437772]
ChEMBL Inhibition of CCL22-stimulated CCR4 in human HTLA cells pre-incubated for 20 mins with Tween-80-treated compound solution measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay B 4.5 pIC50 >31622.78 nM IC50 J Med Chem (2013) 56: 2406-2414 [PMID:23437772]
ChEMBL Inhibition of CCL22-stimulated CCR4 in human HTLA cells pre-incubated for 20 mins with centrifuged compound solution measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay B 4.5 pIC50 >31622.78 nM IC50 J Med Chem (2013) 56: 2406-2414 [PMID:23437772]
ChEMBL Inhibition of CCL22-stimulated CCR4 in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay B 4.99 pIC50 10200 nM IC50 J Med Chem (2013) 56: 2406-2414 [PMID:23437772]
ChEMBL Inhibition of CCL22-stimulated CCR4 in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay B 5 pIC50 10000 nM IC50 J Med Chem (2013) 56: 2406-2414 [PMID:23437772]
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 4.2 pEC50 63400 nM EC50 J Nat Prod (2004) 67: 416-420 [PMID:15043421]
chymotrypsin C/Chymotrypsin C in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2386] [GtoPdb: 2341] [UniProtKB: Q99895]
ChEMBL Inhibitory activity against chymotrypsinogen B 4 pIC50 100000 nM IC50 J Med Chem (2002) 45: 1712-1722 [PMID:11931626]
cyclin dependent kinase 1/Cyclin-dependent kinase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL308] [GtoPdb: 1961] [UniProtKB: P06493]
ChEMBL Inhibition of CDK1 B 6.35 pIC50 450 nM IC50 Eur J Med Chem (2010) 45: 4316-4330 [PMID:20638755]
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 4.12 pIC50 75000 nM IC50 J Med Chem (2005) 48: 737-743 [PMID:15689157]
cyclin dependent kinase 1/Cyclin-dependent kinase 1/cyclin B1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907602] [GtoPdb: 1961] [UniProtKB: P06493, P14635]
ChEMBL Inhibition of Cyclin-dependent kinase 1-cyclin B1 B 4.7 pIC50 20000 nM IC50 Bioorg Med Chem Lett (2000) 10: 1037-1041 [PMID:10843211]
ChEMBL Inhibition of Cdk1/cyclin B B 4.7 pIC50 >20000 nM IC50 Bioorg Med Chem (2008) 16: 7128-7133 [PMID:18639462]
cyclin dependent kinase 2/Cyclin-dependent kinase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL301] [GtoPdb: 1973] [UniProtKB: P24941]
ChEMBL Inhibition of CDK2 B 4.4 pIC50 40000 nM IC50 Bioorg Med Chem Lett (2007) 17: 1284-1287 [PMID:17178224]
cyclin dependent kinase 4/Cyclin-dependent kinase 4/cyclin D1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907601] [GtoPdb: 1976] [UniProtKB: P11802, P24385]
ChEMBL Inhibitory activity against cyclin-dependent kinase 4-cyclin D1 B 4.21 pIC50 61000 nM IC50 Bioorg Med Chem Lett (2000) 10: 1037-1041 [PMID:10843211]
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 4.64 pIC50 23000 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 4.6 pIC50 25000 nM IC50 J Med Chem (2005) 48: 737-743 [PMID:15689157]
ChEMBL Inhibition of Homo sapiens (human) cyclin-dependent kinase 6 B 4.6 pIC50 25000 nM IC50 Med Chem Res (2010) 19: 817-835
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 4.54 pIC50 28600 nM IC50 J Nat Prod (2007) 70: 859-862 [PMID:17378609]
CFTR/Cystic fibrosis transmembrane conductance regulator in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4051] [GtoPdb: 707] [UniProtKB: P13569]
ChEMBL Binding affinity to sensorchip-immobilized human His-tagged CFTR F508 deletion mutant by surface plasmon resonance analysis B 4.59 pKd 25600 nM Kd Eur J Med Chem (2021) 213: 113186-113186 [PMID:33472120]
CYP19A1/Cytochrome P450 19A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1978] [GtoPdb: 1362] [UniProtKB: P11511]
ChEMBL Inhibition of aromatase (unknown origin) B 4.92 pIC50 12000 nM IC50 Eur J Med Chem (2015) 102: 375-386 [PMID:26301554]
ChEMBL Inhibition of human placental microsome CYP19 B 7.92 pIC50 12 nM IC50 Bioorg Med Chem Lett (2010) 20: 3050-3064 [PMID:20413308]
CYP1A1/Cytochrome P450 1A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2231] [GtoPdb: 1318] [UniProtKB: P04798]
ChEMBL Inhibition of recombinant human CYP1A1 expressed in yeast microsomal membranes by fluorescence assay B 4.7 pIC50 >20000 nM IC50 Bioorg Med Chem Lett (2017) 27: 5400-5403 [PMID:29150398]
ChEMBL Inhibition of human CYP1A1 transfected in HEK293 cells assessed as cell toxicity B 5 pIC50 9900 nM IC50 Bioorg Med Chem Lett (2017) 27: 5400-5403 [PMID:29150398]
ChEMBL Inhibition of human CYP1A1 transfected in HEK293 cells assessed as protection against CYP1A1 mediated B[a]P toxicity by measuring B[a]P EC50 at 20 uM by MTT assay (Rvb =1.2+/- 0.3 uM) B 5.06 pEC50 8800 nM EC50 Bioorg Med Chem Lett (2017) 27: 5400-5403 [PMID:29150398]
CYP1B1/Cytochrome P450 1B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4878] [GtoPdb: 1320] [UniProtKB: Q16678]
ChEMBL Inhibition of CYP1B1 (unknown origin) B 7.64 pKi 23 nM Ki Eur J Med Chem (2017) 135: 296-306 [PMID:28458135]
ChEMBL Inhibition of human CYP1B1 expressed in HEK293 cells by fluorescence assay B 5.66 pIC50 2200 nM IC50 Bioorg Med Chem Lett (2017) 27: 5400-5403 [PMID:29150398]
ChEMBL Inhibition of human CYP1B1 expressed in MDA-MB-468 cells assessed as cell toxicity B 5.66 pIC50 2200 nM IC50 Bioorg Med Chem Lett (2017) 27: 5400-5403 [PMID:29150398]
ChEMBL Inhibition of human CYP1B1 expressed in yeast microsomal membranes using 7-ethoxyresorufin as substrate by fluorescence assay B 6 pIC50 1000 nM IC50 Bioorg Med Chem Lett (2017) 27: 5400-5403 [PMID:29150398]
ChEMBL Inhibition of human CYP1B1 by EROD assay B 7.11 pIC50 77 nM IC50 Bioorg Med Chem (2010) 18: 6310-6315 [PMID:20696580]
ChEMBL Inhibition of CYP1B1 (unknown origin) B 7.11 pIC50 77 nM IC50 Eur J Med Chem (2017) 130: 320-327 [PMID:28259840]
ChEMBL Inhibition of human CYP1B1 expressed in MDA-MB-468 cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin EC50 at 6.6 uM (Rvb = 6.70+/- 0.7 uM) B 5.96 pEC50 1100 nM EC50 Bioorg Med Chem Lett (2017) 27: 5400-5403 [PMID:29150398]
CYP2C8/Cytochrome P450 2C8 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3721] [GtoPdb: 1325] [UniProtKB: P10632]
ChEMBL Fluorescent High Throughput P450 Assay: The interaction of SC12 with cytochrome P450 enzymes was tested using Fluorescent High Throughput P450 assays (Gentest); The IC50s of the compounds was calculated on isoenzymes (CYP1A2, CYP2C9, CYP2C19, CYP2C8, CYP2B6, CYP2D6, CYP2E1, CYP3A4 and CYP3A5). Inhibition of the P450 isoforms was measured in specific assays using specific substrates that become fluorescent upon CYP metabolism. Compounds, dissolved in ACN (acetonitrile) (CYP2E1, CYP2C8, CYP2B6, CYP3A5) or DMSO (all remaining isoforms), were tested in duplicate (n=2) in concentration-response curves (eight concentrations) in a 96-well plate containing incubation/NADPH regenerating buffer. Specific isoenzymes and substrates were added and incubated at 37° C. Reactions were terminated at different times, depending on the assays, and plates read on a Fluoroskan Ascent at the appropriate emission/excitation wavelengths. Concentration-response curves performed in duplicate for known inhibitors for each isoenzyme were tested in ever B 5.46 pIC50 3500 nM IC50 US-9173935-B2. Phospholipid drug analogs (2015)
ChEMBL Fluorescent High Throughput P450 Assays: The interaction of SC12 with cytochrome P450 enzymes was tested using Fluorescent High Throughput P450 assays (Gentest); The IC50s of the compounds was calculated on isoenzymes (CYP1A2, CYP2C9, CYP2C19, CYP2C8, CYP2B6, CYP2D6, CYP2E1, CYP3A4 and CYP3A5).Materials and Methods: Inhibition of the P450 isoforms was measured in specific assays using specific substrates that become fluorescent upon CYP metabolism. Compounds, dissolved in ACN (acetonitrile) (CYP2E1, CYP2C8, CYP2B6, CYP3A5) or DMSO (all remaining isoforms), were tested in duplicate (n=2) in concentration-response curves (eight concentrations) in a 96-well plate containing incubation/NADPH regenerating buffer. Specific isoenzymes and substrates were added and incubated at 37° C. Reactions were terminated at different times, depending on the assays, and plates read on a Fluoroskan Ascent at the appropriate emission/excitation wavelengths. B 5.46 pIC50 3500 nM IC50 US-9180183-B2. Phospholipid drug analogs (2015)
Cytosol aminopeptidase in Pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5624] [UniProtKB: P28839]
ChEMBL Inhibition of pig kidney cytosolic Leucyl aminopeptidase B 4.46 pIC50 34300 nM IC50 J Nat Prod (1995) 58: 823-829 [PMID:7673925]
D-alanine--D-alanine ligase in Helicobacter pylori (strain HPAG1) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2366488] [UniProtKB: Q1CTD3]
ChEMBL Binding affinity to Helicobacter pylori Ddl by surface plasmon resonance biosensor technology B 4.89 pKd 12900 nM Kd Med Chem Res (2013) 22: 2139-2150
ChEMBL Competitive inhibition of Helicobacter pylori Ddl using ATP as substrate B 5.37 pKi 4300 nM Ki Med Chem Res (2013) 22: 2139-2150
ChEMBL Competitive inhibition of Helicobacter pylori Ddl using ATP as substrate B 4.31 pIC50 48500 nM IC50 Med Chem Res (2013) 22: 2139-2150
D-alanylalanine synthetase in Escherichia coli (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1956] [UniProtKB: P07862]
ChEMBL Competitive inhibition of Escherichia coli DdlB using ATP as substrate B 4.7 pIC50 19900 nM IC50 Med Chem Res (2013) 22: 2139-2150
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 5.05 pIC50 8900 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 human DPP4 using H-Gly-Pro-AMC peptide substrate assessed as increase in fluorescence for 20 mins by fluorimetric assay B 4.49 pIC50 32730 nM IC50 Medchemcomm (2011) 2: 471-477
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 5.53 pIC50 2920 nM IC50 Eur J Med Chem (2018) 151: 145-157 [PMID:29609120]
D4 receptor/Dopamine D4 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL219] [GtoPdb: 217] [UniProtKB: P21917]
ChEMBL Binding affinity to dopamine D4 receptor B 5.11 pKi 7846 nM Ki J Nat Prod (2010) 73: 1015-1021 [PMID:20408551]
mitogen-activated protein kinase kinase 1/Dual specificity mitogen-activated protein kinase kinase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3587] [GtoPdb: 2062] [UniProtKB: Q02750]
ChEMBL Inhibition of wild type MEK1 (unknown origin) B 5 pIC50 >10000 nM IC50 J Nat Prod (2014) 77: 49-56 [PMID:24328302]
ELAV-like protein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1250379] [UniProtKB: Q15717]
ChEMBL Inhibition of ELAV1 (unknown origin)-ARE TNFalpha complex formation after 20 mins by liquid scintillation counting method B 5.85 pIC50 1400 nM IC50 J Med Chem (2017) 60: 8257-8267 [PMID:28587461]
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 5.74 pIC50 1800 nM IC50 J Med Chem (2017) 60: 8257-8267 [PMID:28587461]
Enoyl-[acyl-carrier-protein] reductase in Escherichia coli (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1857] [UniProtKB: P0AEK4]
ChEMBL Inhibition of Escherichia coli ENR B 4.7 pIC50 20000 nM IC50 J Med Chem (2007) 50: 765-775 [PMID:17263522]
Enoyl-acyl-carrier protein reductase in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4150] [UniProtKB: Q965D5]
ChEMBL Inhibition of Plasmodium falciparum ENR using NADH substrate B 5.96 pKi 1090 nM Ki J Med Chem (2007) 50: 765-775 [PMID:17263522]
ChEMBL Inhibition of Plasmodium falciparum ENR using crotonyl-CoA substrate B 6.33 pKi 473 nM Ki J Med Chem (2007) 50: 765-775 [PMID:17263522]
ChEMBL Inhibition of Plasmodium falciparum ENR in presence of triclosan B 7.66 pKi 22 nM Ki J Med Chem (2007) 50: 765-775 [PMID:17263522]
ChEMBL Inhibition of Plasmodium falciparum ENR B 5.6 pIC50 2500 nM IC50 J Med Chem (2007) 50: 765-775 [PMID:17263522]
ChEMBL Inhibition of FabI B 5.82 pIC50 1500 nM IC50 J Med Chem (2006) 49: 3345-3353 [PMID:16722653]
ChEMBL Inhibition of Plasmodium falciparum FabI B 5.82 pIC50 1500 nM IC50 Bioorg Med Chem Lett (2010) 20: 4779-4781 [PMID:20637612]
epidermal growth factor receptor/Epidermal growth factor receptor erbB1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL203] [GtoPdb: 1797] [UniProtKB: P00533]
ChEMBL Inhibition of recombinant human EGFR using peptide as substrate by fluorimetric analysis B 4.83 pIC50 14900 nM IC50 Eur J Med Chem (2018) 150: 491-505 [PMID:29549836]
ChEMBL Inhibition of EGFR B 6.05 pIC50 900 nM IC50 Eur J Med Chem (2009) 44: 1982-1988 [PMID:19041163]
epoxide hydrolase 2/Epoxide hydratase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2409] [GtoPdb: 2970] [UniProtKB: P34913]
ChEMBL Inhibition of sEH (unknown origin) assessed as substrate PHOME hydrolysis after 1 hr by fluorescence method B 4.47 pIC50 33540 nM IC50 Bioorg Med Chem Lett (2014) 24: 1895-1900 [PMID:24679441]
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 5.81 pIC50 1540 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 5.81 pIC50 1540 nM IC50 J Nat Prod (2017) 80: 965-974 [PMID:28319389]
Fatty acid synthase in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4512] [UniProtKB: Q965D7]
ChEMBL Inhibition of FabZ B 5.82 pIC50 1500 nM IC50 J Med Chem (2006) 49: 3345-3353 [PMID:16722653]
protein tyrosine kinase 2/Focal adhesion kinase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2695] [GtoPdb: 2180] [UniProtKB: Q05397]
ChEMBL Inhibition of FAK (unknown origin) B 5.92 pIC50 1200 nM IC50 J Nat Prod (2014) 77: 49-56 [PMID:24328302]
Glutathione reductase in Saccharomyces cerevisiae S288c (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4119] [UniProtKB: P41921]
ChEMBL In vitro inhibitory activity against glutathione reductase (GR) from bakers yeast B 4.31 pIC50 48800 nM IC50 J Med Chem (2003) 46: 1419-1428 [PMID:12672241]
glycogen synthase kinase 3 beta/Glycogen synthase kinase-3 beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL262] [GtoPdb: 2030] [UniProtKB: P49841]
ChEMBL Inhibition of Homo sapiens (human) recombinant GSK3beta after 30 min by Kinase-Glo assay B 5.7 pIC50 2000 nM IC50 Med Chem Res (2013) 22: 3061-3075
Glyoxalase I in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2424] [UniProtKB: Q04760]
ChEMBL Inhibition constant of compound against binding of Yeast Glyoxalase I B 4.82 pKi 15135.61 nM Ki J Med Chem (1988) 31: 1396-1406 [PMID:3290487]
ChEMBL Inhibition of human recombinant His-tagged Glyoxalase 1 expressed in Sf21-Baculovirus system B 5.49 pIC50 3200 nM IC50 Bioorg Med Chem (2008) 16: 3969-3975 [PMID:18258440]
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 4.81 pIC50 15400 nM IC50 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 5.1 pEC50 8020 nM EC50 ACS Med Chem Lett (2012) 3: 165-169 [PMID:24900447]
ChEMBL Agonist activity at GPR35 receptor in human U2OS cells coexpressing Gal4-VP16-TEV assessed as beta arrestin translocation after 5 hrs by beta lactamase reporter gene assay F 5.23 pEC50 5930 nM EC50 ACS Med Chem Lett (2012) 3: 165-169 [PMID:24900447]
Heat shock factor protein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5869] [UniProtKB: Q00613]
ChEMBL Inhibition of HSF1 (unknown origin) B 4.3 pIC50 >50000 nM IC50 Bioorg Med Chem Lett (2015) 25: 3409-3414 [PMID:26164188]
MET proto-oncogene, receptor tyrosine kinase/Hepatocyte growth factor receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3717] [GtoPdb: 1815] [UniProtKB: P08581]
ChEMBL Inhibition of wild type MET (unknown origin) B 6.24 pIC50 580 nM IC50 J Nat Prod (2014) 77: 49-56 [PMID:24328302]
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 4.63 pIC50 23600 nM IC50 J Med Chem (1995) 38: 890-897 [PMID:7699704]
ChEMBL Inhibition of recombinant HIV-1 integrase 3'-processing activity using 32P 5' end-labeled linear 21'mer as substrate preincubated for 30 mins prior to substrate challenge by phosphorimaging analysis B 4.7 pIC50 >20000 nM IC50 Bioorg Med Chem (2014) 22: 3146-3158 [PMID:24794743]
ChEMBL IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration B 4.87 pIC50 13600 nM IC50 J Med Chem (1995) 38: 890-897 [PMID:7699704]
ChEMBL Inhibition of recombinant HIV-1 integrase strand transfer activity using 32P 5' end-labeled linear 21'mer as substrate preincubated for 30 mins prior to substrate challenge by phosphorimaging analysis B 5.1 pIC50 8000 nM IC50 Bioorg Med Chem (2014) 22: 3146-3158 [PMID:24794743]
ChEMBL Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed by addition of Flag-LEDGF/p75 for 1 hr by AlphaScreen assay B 6.22 pIC50 600 nM IC50 Bioorg Med Chem (2014) 22: 3146-3158 [PMID:24794743]
Hypoxia-inducible factor 1-alpha inhibitor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5909] [UniProtKB: Q9NWT6]
ChEMBL Inhibition of human recombinant FIH1 B 4.99 pIC50 10200 nM IC50 Bioorg Med Chem (2009) 17: 7769-7774 [PMID:19822432]
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 5.64 pIC50 2300 nM IC50 J Med Chem (2019) 62: 1443-1454 [PMID:30624931]
Insulin-like growth factor I receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1957] [GtoPdb: 1801] [UniProtKB: P08069]
ChEMBL Inhibition of IGF1R (unknown origin) B 6.52 pIC50 300 nM IC50 J Nat Prod (2014) 77: 49-56 [PMID:24328302]
CXCR1/Interleukin-8 receptor A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4029] [GtoPdb: 68] [UniProtKB: P25024]
ChEMBL Inhibition of CX3CL1-stimulated CX3CR1 in human HTLA cells pre-incubated for 20 mins with Tween-80-treated compound solution measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay B 4 pIC50 >100000 nM IC50 J Med Chem (2013) 56: 2406-2414 [PMID:23437772]
ChEMBL Inhibition of CX3CL1-stimulated CX3CR1 in human HTLA cells pre-incubated for 20 mins with Tween-80-treated compound solution measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay B 4.49 pIC50 >32000 nM IC50 J Med Chem (2013) 56: 2406-2414 [PMID:23437772]
ChEMBL Inhibition of CX3CL1-stimulated CX3CR1 in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay B 5.3 pIC50 5011.87 nM IC50 J Med Chem (2013) 56: 2406-2414 [PMID:23437772]
ChEMBL Inhibition of CX3CL1-stimulated CX3CR1 in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay B 5.35 pIC50 4500 nM IC50 J Med Chem (2013) 56: 2406-2414 [PMID:23437772]
Lactoperoxidase in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2295561] [UniProtKB: P80025]
ChEMBL Inhibition of bovine milk LPO assessed as reduction in NaOSCN production in presence of H2O2/NaSCN after 5 mins B 5.21 pIC50 6100 nM IC50 J Med Chem (2017) 60: 6563-6586 [PMID:28671460]
elastase, neutrophil expressed/Leukocyte elastase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL248] [GtoPdb: 2358] [UniProtKB: P08246]
ChEMBL Noncompetitive inhibition of human neutrophil elastase using varying levels of MeOSuc-AAPV-pNA as substrate measured after 30 mins by double-reciprocal Lineweaver-Burk plot analysis B 4.92 pKi 11900 nM Ki J Nat Prod (2017) 80: 2659-2665 [PMID:28968119]
ChEMBL Inhibition of human neutrophil elastase using MeOSuc-AAPV-pNA as substrate measured after 30 mins by spectrometric method B 4.84 pIC50 14300 nM IC50 J Nat Prod (2017) 80: 2659-2665 [PMID:28968119]
Liver glycogen phosphorylase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2568] [UniProtKB: P06737]
ChEMBL Inhibition of glycogen phosphorylase a (unknown origin) B 5.32 pIC50 4800 nM IC50 Bioorg Med Chem (2014) 22: 4810-4825 [PMID:25092521]
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 4.42 pIC50 37900 nM IC50 Bioorg Med Chem Lett (2011) 21: 3939-3942 [PMID:21641214]
lysine demethylase 1A/Lysine-specific histone demethylase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6136] [GtoPdb: 2669] [UniProtKB: O60341]
ChEMBL Inhibition of LSD1 (unknown origin) by fluorescence assay B 5.9 pIC50 1260 nM IC50 Bioorg Med Chem (2019) 27: 370-374 [PMID:30552007]
Malate dehydrogenase in Thermus thermophilus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4255] [UniProtKB: P10584]
ChEMBL Inhibitory activity against malate dehydrogenase (MDH) from Thermus flavus B 5.22 pIC50 6000 nM IC50 J Med Chem (2003) 46: 1478-1483 [PMID:12672248]
maltase-glucoamylase/Maltase-glucoamylase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2074] [GtoPdb: 2627] [UniProtKB: O43451]
ChEMBL Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D-glucopyranoside as substrate incubated for 50 mins by microplate reader analysis B 4.97 pIC50 10800 nM IC50 Bioorg Med Chem Lett (2021) 53: 128422-128422 [PMID:34710624]
MMP12/Matrix metalloproteinase 12 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4393] [GtoPdb: 1636] [UniProtKB: P39900]
ChEMBL Inhibition of human recombinant MMP12 catalytic domain incubated for 20 mins by fluorimetric assay B 4.99 pIC50 10230 nM IC50 Bioorg Med Chem (2012) 20: 4164-4171 [PMID:22658537]
MMP13/Matrix metalloproteinase 13 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL280] [GtoPdb: 1637] [UniProtKB: P45452]
ChEMBL Inhibition of human recombinant MMP13 catalytic domain incubated for 20 mins by fluorimetric assay B 5.07 pIC50 8460 nM IC50 Bioorg Med Chem (2012) 20: 4164-4171 [PMID:22658537]
MMP2/Matrix metalloproteinase-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL333] [GtoPdb: 1629] [UniProtKB: P08253]
ChEMBL Inhibition of human recombinant MMP2 catalytic domain incubated for 20 mins by fluorimetric assay B 5.18 pIC50 6680 nM IC50 Bioorg Med Chem (2012) 20: 4164-4171 [PMID:22658537]
MMP3/Matrix metalloproteinase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL283] [GtoPdb: 1630] [UniProtKB: P08254]
ChEMBL Inhibition of human recombinant MMP3 catalytic domain incubated for 20 mins by fluorimetric assay B 5.25 pIC50 5570 nM IC50 Bioorg Med Chem (2012) 20: 4164-4171 [PMID:22658537]
MMP9/Matrix metalloproteinase 9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL321] [GtoPdb: 1633] [UniProtKB: P14780]
ChEMBL Inhibition of human recombinant MMP9 catalytic domain incubated for 20 mins by fluorimetric assay B 5.79 pIC50 1610 nM IC50 Bioorg Med Chem (2012) 20: 4164-4171 [PMID:22658537]
ChEMBL Inhibition of MMP9 (unknown origin) by colorimetric assay B 6.76 pIC50 173.8 nM IC50 Eur J Med Chem (2021) 222: 113558-113558 [PMID:34116327]
Monoamine oxidase A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1951] [GtoPdb: 2489] [UniProtKB: P21397]
ChEMBL Inhibition of human MAOA B 5.55 pIC50 2800 nM IC50 Bioorg Med Chem (2010) 18: 1273-1279 [PMID:20045650]
ChEMBL Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate after 20 mins by fluorometric assay B 5.61 pIC50 2440 nM IC50 J Nat Prod (2016) 79: 2538-2544 [PMID:27754693]
Monoamine oxidase A in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3254] [UniProtKB: P21398]
ChEMBL Inhibition of bovine MAO-A by fluorimetric method B 8 pIC50 10 nM IC50 J Nat Prod (2006) 69: 945-949 [PMID:16792415]
Monoamine oxidase B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2039] [GtoPdb: 2490] [UniProtKB: P27338]
ChEMBL Inhibition of human MAOB B 4.05 pIC50 90000 nM IC50 Bioorg Med Chem (2010) 18: 1273-1279 [PMID:20045650]
ChEMBL Inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate after 20 mins by fluorometric assay B 4.41 pIC50 38660 nM IC50 J Nat Prod (2016) 79: 2538-2544 [PMID:27754693]
Monoamine oxidase B in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2756] [UniProtKB: P56560]
ChEMBL Inhibition of bovine MAO-B by fluorimetric method B 4.7 pIC50 20000 nM IC50 J Nat Prod (2006) 69: 945-949 [PMID:16792415]
Monocarboxylate transporter 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2073709] [GtoPdb: 988] [UniProtKB: P53987]
ChEMBL TP_TRANSPORTER: inhibition of lactate uptake in Xenopus laevis oocytes F 4.85 pIC50 14000 nM IC50 Biochem J (1999) 341: 529-535 [PMID:10417314]
Monocarboxylate transporter 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2073718] [GtoPdb: 990] [UniProtKB: Q63344]
ChEMBL TP_TRANSPORTER: inhibition of lactate uptake in Xenopus laevis oocytes F 5.3 pIC50 5000 nM IC50 Biochem J (1999) 341: 529-535 [PMID:10417314]
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 5.09 pKi 8100 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]
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 LDL oxidation in presence of H2O2 and HCl after 5 mins by ELISA B 5.51 pIC50 3100 nM IC50 J Med Chem (2017) 60: 6563-6586 [PMID:28671460]
ChEMBL Inhibition of myeloperoxidase B 5.9 pIC50 1270 nM IC50 J Med Chem (2012) 55: 7208-7218 [PMID:22793255]
ChEMBL Inhibition of MPO in human neutrophils using H2O2 as substrate measured after 1 hr by fluorescence based HPLC analysis B 5.9 pIC50 1270 nM IC50 Bioorg Med Chem Lett (2019) 29: 1-7 [PMID:30466896]
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 5.94 pIC50 1150 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 6.17 pIC50 680 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 1.25 pIC50 1.25 - logIC50 Eur J Med Chem (2010) 45: 1724-1730 [PMID:20116898]
ChEMBL Inhibition of Influenza A virus (H1N1) neuraminidase B 5.11 pIC50 7750 nM IC50 Bioorg Med Chem (2020) 28: 115191-115191 [PMID:31744778]
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 5.42 pKi 3800 nM Ki Bioorg Med Chem (2009) 17: 6816-6823 [PMID:19729316]
ChEMBL Inhibition of Influenza A Jinan/15/90 H3N2 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay B 4.06 pIC50 87600 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 4.17 pIC50 67500 nM IC50 Bioorg Med Chem (2008) 16: 7141-7147 [PMID:18640042]
ChEMBL Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay B 4.23 pIC50 58400 nM IC50 Bioorg Med Chem (2008) 16: 7141-7147 [PMID:18640042]
ChEMBL Noncompetitive inhibition of recombinant influenza A virus rvH1N1 A/Bervig_Mission/1/18 neuraminidase B 5.66 pIC50 2200 nM IC50 Bioorg Med Chem (2009) 17: 6816-6823 [PMID:19729316]
Inducible NOS/Nitric oxide synthase, inducible in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3464] [GtoPdb: 1250] [UniProtKB: P29477]
ChEMBL Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW264.7 cells after 24 hrs by Griess reaction analysis B 4.79 pIC50 16400 nM IC50 J Nat Prod (2013) 76: 489-494 [PMID:23517145]
NUAK family kinase 1/NUAK family SNF1-like kinase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5784] [GtoPdb: 2129] [UniProtKB: O60285]
ChEMBL Inhibition of ARK5 (unknown origin) B 5.29 pIC50 5090 nM IC50 J Nat Prod (2014) 77: 49-56 [PMID:24328302]
Pancreatic triacylglycerol lipase in Pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1687677] [UniProtKB: P00591]
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 5.15 pKd 7079.46 nM Kd Eur J Med Chem (2011) 46: 4078-4088 [PMID:21723648]
ChEMBL TP_TRANSPORTER: drug resistance (vincristine) in AML-2/D100 cells F 4.28 pIC50 52500 nM IC50 Biochem Biophys Res Commun (2004) 320: 672-679 [PMID:15240100]
phosphodiesterase 2A/Phosphodiesterase 2A in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4650] [GtoPdb: 1297] [UniProtKB: Q01062]
ChEMBL Inhibition of rat brain particulate cGMP phosphodiesterase B 4.09 pIC50 81300 nM IC50 J Med Chem (1982) 25: 1192-1198 [PMID:6292419]
sPLA2-1B/Phospholipase A2 group 1B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4426] [GtoPdb: 1416] [UniProtKB: P04054]
ChEMBL Inhibition of phospholipase A2 B 5.7 pIC50 2000 nM IC50 Proc Natl Acad Sci U S A (2007) 104: 20523-20528 [PMID:18077363]
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 4.86 pIC50 13790 nM IC50 Eur J Med Chem (2014) 84: 454-465 [PMID:25050878]
phosphoinositide-3-kinase regulatory subunit 1/PI3-kinase p85-alpha subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2506] [GtoPdb: 2503] [UniProtKB: P27986]
ChEMBL Inhibition of PI3K B 5.42 pIC50 3800 nM IC50 Proc Natl Acad Sci U S A (2007) 104: 20523-20528 [PMID:18077363]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL Antiplasmodial activity against asexual erythrocyte stage of chloroquine-sensitive Plasmodium falciparum 3D7 infected in human red blood cells after 48 hrs by lactate dehydrogenase assay F 4.76 pIC50 17540 nM IC50 J Nat Prod (2017) 80: 1750-1757 [PMID:28557449]
ChEMBL Antimalarial activity against chloroquine /mefloquine/pyrimethamine-resistant Plasmodium falciparum C235 by malaria SYBR green 1-based fluorescence (MSF) assay F 4.89 pIC50 13000 nM IC50 Bioorg Med Chem Lett (2015) 25: 327-332 [PMID:25488841]
ChEMBL Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54 F 5 pIC50 10000 nM IC50 J Med Chem (2006) 49: 3345-3353 [PMID:16722653]
ChEMBL Antimalarial activity against chloroquine-sensitive Plasmodium falciparum NF54 F 5 pIC50 10000 nM IC50 Bioorg Med Chem Lett (2010) 20: 4779-4781 [PMID:20637612]
ChEMBL Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 F 5.05 pIC50 8900 nM IC50 J Med Chem (2006) 49: 3345-3353 [PMID:16722653]
ChEMBL Antimalarial activity against chloroquine-resistant/mefloquine-sensitive Plasmodium falciparum W2 by malaria SYBR green 1-based fluorescence (MSF) assay F 5.54 pIC50 2900 nM IC50 Bioorg Med Chem Lett (2015) 25: 327-332 [PMID:25488841]
Plasmodium falciparum D6 (target type: ORGANISM) [ChEMBL: CHEMBL2367107]
ChEMBL Antimalarial activity against chloroquine-sensitive/mefloquine-resistant Plasmodium falciparum D6 by malaria SYBR green 1-based fluorescence (MSF) assay F 5.05 pIC50 9000 nM IC50 Bioorg Med Chem Lett (2015) 25: 327-332 [PMID:25488841]
prolyl endopeptidase/Prolyl endopeptidase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3202] [GtoPdb: 2395] [UniProtKB: P48147]
ChEMBL Inhibition of human brain prolyl oligopeptidase expressed in Escherichia coli B 4.89 pIC50 13000 nM IC50 Bioorg Med Chem (2008) 16: 7516-7524 [PMID:18650094]
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 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 5.46 pIC50 3500 nM IC50 Eur J Med Chem (2019) 167: 291-311 [PMID:30776692]
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 5.7 pIC50 2000 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]
protein kinase N1/Protein kinase N1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3384] [GtoPdb: 1520] [UniProtKB: Q16512]
ChEMBL Inhibition of PRK1 (unknown origin) B 5.24 pIC50 5800 nM IC50 J Nat Prod (2014) 77: 49-56 [PMID:24328302]
protein tyrosine phosphatase non-receptor type 1/Protein-tyrosine phosphatase 1B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL335] [GtoPdb: 2976] [UniProtKB: P18031]
ChEMBL The inhibitory activity tested against human Protein-tyrosine phosphatase 1B enzyme B 4.63 pIC50 23300 nM IC50 Bioorg Med Chem Lett (2002) 12: 3387-3390 [PMID:12419367]
ChEMBL Inhibition of PTP1B B 4.63 pIC50 23300 nM IC50 Bioorg Med Chem (2009) 17: 2658-2672 [PMID:19297174]
CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/Replicase polyprotein 1ab in SARS coronavirus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5118] [GtoPdb: 3125, 3139, 3206] [UniProtKB: P0C6X7]
ChEMBL Inhibition of ATPase activity of SARS coronavirus helicase assessed as phosphate release by malachite green assay B 4.3 pIC50 >50000 nM IC50 Bioorg Med Chem Lett (2009) 19: 4538-4541 [PMID:19625187]
ChEMBL Inhibition of SARS coronavirus 3C-like protease after 60 mins by FRET assay B 4.62 pIC50 23800 nM IC50 Bioorg Med Chem (2010) 18: 7940-7947 [PMID:20934345]
ChEMBL Inhibition of SARS coronavirus helicase assessed as duplex-DNA unwinding by FRET based assay B 5.09 pIC50 8100 nM IC50 Bioorg Med Chem Lett (2009) 19: 4538-4541 [PMID:19625187]
Salivary alpha-amylase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2478] [UniProtKB: P0DUB6]
ChEMBL Inhibition of human salivary alpha-amylase B 4.67 pIC50 21400 nM IC50 J Med Chem (2008) 51: 3555-3561 [PMID:18507367]
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase in Rabbit (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4693] [UniProtKB: P04191]
ChEMBL Inhibition of rabbit skeletal muscle microsomes SERCA1a preincubated for 10 mins followed by addition of ATP and measured after 40 mins B 5.05 pIC50 9000 nM IC50 J Med Chem (2020) 63: 1937-1963 [PMID:32030976]
AKT serine/threonine kinase 1/Serine/threonine-protein kinase AKT in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4282] [GtoPdb: 1479] [UniProtKB: P31749]
ChEMBL Inhibition of AKT1 (unknown origin) B 5.27 pIC50 5390 nM IC50 J Nat Prod (2014) 77: 49-56 [PMID:24328302]
aurora kinase B/Serine/threonine-protein kinase Aurora-B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2185] [GtoPdb: 1937] [UniProtKB: Q96GD4]
ChEMBL Inhibition of aurora-B (unknown origin) B 6.04 pIC50 910 nM IC50 J Nat Prod (2014) 77: 49-56 [PMID:24328302]
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 5.12 pIC50 7589 nM IC50 Medchemcomm (2017) 8: 1835-1844 [PMID:30108894]
NIMA related kinase 2/Serine/threonine-protein kinase NEK2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3835] [GtoPdb: 2117] [UniProtKB: P51955]
ChEMBL Inhibition of NEK2 (unknown origin) B 5.24 pIC50 5730 nM IC50 J Nat Prod (2014) 77: 49-56 [PMID:24328302]
NIMA related kinase 6/Serine/threonine-protein kinase NEK6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4309] [GtoPdb: 2121] [UniProtKB: Q9HC98]
ChEMBL Inhibition of NEK6 (unknown origin) B 5.37 pIC50 4230 nM IC50 J Nat Prod (2014) 77: 49-56 [PMID:24328302]
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 Binding affinity to non phosphorylated PIM1 B 7.6 pKd 25 nM Kd J Med Chem (2005) 48: 7604-7614 [PMID:16302800]
ChEMBL Inhibition of PIM1 kinase B 0.04 pIC50 -0.04 uM -Log IC50 Bioorg Med Chem (2007) 15: 6463-6473 [PMID:17637507]
ChEMBL Inhibition of Pim1 B 5.96 pIC50 1100 nM IC50 J Med Chem (2009) 52: 1814-1827 [PMID:19256503]
ChEMBL Competitive inhibition of PIM1 in presence of ATP B 5.96 pIC50 1100 nM IC50 J Med Chem (2012) 55: 8199-8208 [PMID:22924342]
ChEMBL Inhibition of PIM1 (unknown origin) B 6.3 pIC50 500 nM IC50 J Nat Prod (2014) 77: 49-56 [PMID:24328302]
ChEMBL Inhibitory activity against PIM1 B 7.37 pIC50 43 nM IC50 J Med Chem (2005) 48: 7604-7614 [PMID:16302800]
polo like kinase 1/Serine/threonine-protein kinase PLK1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3024] [GtoPdb: 2168] [UniProtKB: P53350]
ChEMBL Inhibition of PLK1 B 4.19 pIC50 64000 nM IC50 Bioorg Med Chem Lett (2008) 18: 4972-4977 [PMID:18762425]
ChEMBL Inhibition of PLK1 (unknown origin) B 5.24 pIC50 5750 nM IC50 J Nat Prod (2014) 77: 49-56 [PMID:24328302]
5-HT1A receptor/Serotonin 1a (5-HT1a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL214] [GtoPdb: 1] [UniProtKB: P08908]
ChEMBL Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in CHO cells B 4 pEC50 >100000 nM EC50 J Nat Prod (2006) 69: 432-435 [PMID:16562853]
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 5.19 pIC50 6500 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 assessed as inhibition of 4-MU-NANA hydrolysis after 10 mins by spectrofluorimetry B 4.6 pIC50 25340 nM IC50 Bioorg Med Chem (2010) 18: 3335-3344 [PMID:20363636]
ChEMBL Inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate by fluorimetry B 5 pIC50 10060 nM IC50 Bioorg Med Chem Lett (2011) 21: 6100-6103 [PMID:21911291]
ChEMBL Inhibition of Clostridium perfringens neuraminidase by fluorimetry B 5.01 pIC50 9800 nM IC50 Bioorg Med Chem (2010) 18: 6258-6264 [PMID:20696581]
ChEMBL Inhibition of Clostridium perfringens neuraminidase by fluorimetry B 5.57 pIC50 2700 nM IC50 Bioorg Med Chem (2009) 17: 2744-2750 [PMID:19285413]
ChEMBL Inhibition of Clostridium perfringens neuraminidase B 5.77 pIC50 1700 nM IC50 Bioorg Med Chem (2009) 17: 6816-6823 [PMID:19729316]
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 4.8 pKi 16000 nM Ki Medchemcomm (2016) 7: 1716-1729 [PMID:28042452]
Sorbitol dehydrogenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2275] [UniProtKB: Q00796]
ChEMBL In vitro inhibitory activity against sorbitol dehydrogenase (SD) from sheep liver B 4.45 pIC50 35600 nM IC50 J Med Chem (2003) 46: 1419-1428 [PMID:12672241]
coagulation factor II, thrombin/Thrombin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL204] [GtoPdb: 2362] [UniProtKB: P00734]
ChEMBL Inhibition of human thrombin assessed as equilibrium dissociation constant at 50 to 1000 uM by BIAcore analysis B 7.41 pKd 38.7 nM Kd Med Chem Res (2013) null: 1-14 [PMID:24610996]
ChEMBL Inhibition of thrombin (unknown origin) assessed as hydrolysis of N-benzoyl-phenylalanylvalyl-arginine-paranitroanilide B 4.52 pIC50 30000 nM IC50 Med Chem Res (2013) null: 1-14 [PMID:24610996]
ChEMBL Inhibition of human thrombin amidolytic activity using D-Phe-Pip-Arg-pNA as substrate preincubated for 10 mins followed by substrate addition measured every 12 secs for 10 mins by spectrophotometric analysis B 5.82 pIC50 1500 nM IC50 Med Chem Res (2013) null: 1-14 [PMID:24610996]
Trypsin I in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3769] [UniProtKB: P00760]
ChEMBL Inhibitory concentration of the compounds against Bovine trypsin enzyme. B 5.15 pIC50 7100 nM IC50 J Med Chem (1997) 40: 4136-4145 [PMID:9406602]
Tyrosinase in Agaricus bisporus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3318] [UniProtKB: O42713]
ChEMBL Inhibition of mushroom tyrosinase B 4.51 pIC50 31000 nM IC50 Bioorg Med Chem (2010) 18: 2337-2345 [PMID:20189399]
LCK proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase LCK in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL258] [GtoPdb: 2053] [UniProtKB: P06239]
ChEMBL Ability to inhibit protein-tyrosine kinase activity of p56lck (isolated from bovine thymus) in vitro. B 4.89 pIC50 13000 nM IC50 J Med Chem (1991) 34: 798-806 [PMID:1995903]
ChEMBL Inhibition of LCK B 4.89 pIC50 13000 nM IC50 J Nat Prod (2006) 69: 14-17 [PMID:16441060]
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 6.23 pIC50 590 nM IC50 Bioorg Med Chem Lett (2013) 23: 1768-1770 [PMID:23411073]
ret proto-oncogene/Tyrosine-protein kinase receptor RET in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2041] [GtoPdb: 2185] [UniProtKB: P07949]
ChEMBL Inhibition of wild type recombinant human RET using peptide as substrate by fluorimetric analysis B 4.11 pIC50 78100 nM IC50 Eur J Med Chem (2018) 150: 491-505 [PMID:29549836]
AXL receptor tyrosine kinase/Tyrosine-protein kinase receptor UFO in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4895] [GtoPdb: 1835] [UniProtKB: P30530]
ChEMBL Inhibition of AXL (unknown origin) B 6.02 pIC50 960 nM IC50 J Nat Prod (2014) 77: 49-56 [PMID:24328302]
SRC proto-oncogene, non-receptor tyrosine kinase/Tyrosine-protein kinase SRC in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL267] [GtoPdb: 2206] [UniProtKB: P12931]
ChEMBL Inhibition of Src B 4.82 pIC50 15000 nM IC50 Eur J Med Chem (2009) 44: 1982-1988 [PMID:19041163]
ChEMBL Inhibition of SRC (unknown origin) B 6.92 pIC50 120 nM IC50 J Nat Prod (2014) 77: 49-56 [PMID:24328302]
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 4.7 pIC50 20000 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 4.46 pEC50 35000 nM EC50 J Med Chem (2012) 55: 3614-3643 [PMID:22257213]
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 6.33 pKi 472 nM Ki Eur J Med Chem (2019) 166: 186-196 [PMID:30769179]
Urease subunit alpha/Urease subunit beta in Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori) (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3885651] [UniProtKB: P14916, P69996]
ChEMBL Inhibition of Helicobacter pylori urease B 4.95 pIC50 11200 nM IC50 Eur J Med Chem (2013) 68: 212-221 [PMID:23974021]
ChEMBL Inhibition of Helicobacter pylori ATCC 43504 urease-mediated ammonia production preincubated for 1.5 hrs by indophenol method B 4.96 pIC50 11000 nM IC50 Eur J Med Chem (2013) 63: 685-695 [PMID:23567958]
plasminogen activator, urokinase/Urokinase-type plasminogen activator in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3286] [GtoPdb: 2393] [UniProtKB: P00749]
ChEMBL Inhibition of urokinase amidolytic activity (unknown origin) B 4.92 pIC50 12100 nM IC50 Med Chem Res (2013) null: 1-14 [PMID:24610996]
kinase insert domain receptor/Vascular endothelial growth factor receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL279] [GtoPdb: 1813] [UniProtKB: P35968]
ChEMBL Inhibition of recombinant human VEGFR2 using peptide as substrate by fluorimetric analysis B 5.78 pIC50 1660 nM IC50 Eur J Med Chem (2018) 150: 491-505 [PMID:29549836]
ChEMBL Inhibition of VEGFR2 (unknown origin) B 6.55 pIC50 280 nM IC50 J Nat Prod (2014) 77: 49-56 [PMID:24328302]
V2 receptor/Vasopressin V2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1790] [GtoPdb: 368] [UniProtKB: P30518]
ChEMBL Inhibition of vasopressin-stimulated vasopressin V2 receptor in human HTLA cells pre-incubated for 20 mins with centrifuged compound solution measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay B 4.4 pIC50 39810.72 nM IC50 J Med Chem (2013) 56: 2406-2414 [PMID:23437772]
ChEMBL Inhibition of vasopressin-stimulated vasopressin V2 receptor in human HTLA cells pre-incubated for 20 mins with centrifuged compound solution measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay B 4.42 pIC50 37800 nM IC50 J Med Chem (2013) 56: 2406-2414 [PMID:23437772]
ChEMBL Inhibition of vasopressin-stimulated vasopressin V2 receptor in human HTLA cells pre-incubated for 20 mins with Tween-80-treated compound solution measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay B 4.8 pIC50 15848.93 nM IC50 J Med Chem (2013) 56: 2406-2414 [PMID:23437772]
ChEMBL Inhibition of vasopressin-stimulated vasopressin V2 receptor in human HTLA cells pre-incubated for 20 mins with Tween-80-treated compound solution measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay B 4.82 pIC50 15200 nM IC50 J Med Chem (2013) 56: 2406-2414 [PMID:23437772]
ChEMBL Inhibition of vasopressin-stimulated vasopressin V2 receptor in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay B 5.15 pIC50 7000 nM IC50 J Med Chem (2013) 56: 2406-2414 [PMID:23437772]
ChEMBL Inhibition of vasopressin-stimulated vasopressin V2 receptor in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay B 5.2 pIC50 6309.57 nM IC50 J Med Chem (2013) 56: 2406-2414 [PMID:23437772]
xanthine dehydrogenase/Xanthine dehydrogenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1929] [GtoPdb: 2646] [UniProtKB: P47989]
ChEMBL Inhibition of xanthine oxidase (unknown origin) at 37 degC at ph 7..8 B 6.55 pKi 280 nM Ki J Nat Prod (2014) 77: 1693-1699 [PMID:25060641]
ChEMBL Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate assessed as inhibition of uric acid formation after 30 mins by spectrophotometric method B 5.46 pIC50 3500 nM IC50 Eur J Med Chem (2016) 119: 197-217 [PMID:27162124]
ChEMBL Inhibition of xanthine oxidase-mediated formation of uric acid by spectrophotometry B 5.52 pIC50 3000 nM IC50 J Nat Prod (2002) 65: 1526-1529 [PMID:12444671]
ChEMBL Inhibition of xanthine oxidase assessed as decrease in uric acid production by spectrophotometry B 5.58 pIC50 2620 nM IC50 J Nat Prod (1998) 61: 71-76 [PMID:9461655]
Xanthine dehydrogenase in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3649] [UniProtKB: P80457]
ChEMBL Inhibition of bovine xanthine oxidase B 5.92 pKi 1200 nM Ki J Nat Prod (2009) 72: 725-731 [PMID:19388706]
ChEMBL Inhibition of bovine milk xanthine oxidase assessed using xanthine as substrate after 10 mins by fluorometric assay B 4.5 pIC50 31900 nM IC50 Eur J Med Chem (2017) 135: 491-516 [PMID:28478180]

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]