curcumin [Ligand Id: 7000] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL140 (C.i. 75300, Ci 75300, Ci-75300, C.i. natural yellow 3, Curcumin, Curcumin e100, Diferuloylmethane, E 100, E-100, E100, Haldar, INS-100(I), INS NO. 100(I), Jianghuangsu, Kacha haldi, Kurkum, Lipocurc, Merita earth, Nanocurc, NSC-32982, NSC-687842, Turmeric yellow)
  • hydroxysteroid 11-beta dehydrogenase 1/11-beta-hydroxysteroid dehydrogenase 1 in Human [ChEMBL: CHEMBL4235] [GtoPdb: 2763] [UniProtKB: P28845]
  • hydroxysteroid 11-beta dehydrogenase 1/11-beta-hydroxysteroid dehydrogenase 1 in Rat [ChEMBL: CHEMBL2391] [GtoPdb: 2763] [UniProtKB: P16232]
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  • hydroxysteroid 11-beta dehydrogenase 2/11-beta-hydroxysteroid dehydrogenase type 2 in Human [ChEMBL: CHEMBL3746] [GtoPdb: 3143] [UniProtKB: P80365]
  • 11-beta-hydroxysteroid dehydrogenase type 2 in Rat [ChEMBL: CHEMBL2908] [UniProtKB: P50233]
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  • hydroxysteroid 17-beta dehydrogenase 2/17-beta-hydroxysteroid dehydrogenase type 2 in Human [ChEMBL: CHEMBL2789] [GtoPdb: 3094] [UniProtKB: P37059]
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  • 17-beta-hydroxysteroid dehydrogenase type 3 in Human [ChEMBL: CHEMBL4234] [UniProtKB: P37058]
  • 17-beta-hydroxysteroid dehydrogenase type 3 in Rat [ChEMBL: CHEMBL1075158] [UniProtKB: O54939]
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  • Acetylcholinesterase in Electrophorus electricus [ChEMBL: CHEMBL4078] [UniProtKB: O42275]
  • acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Human [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303]
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  • Monoamine oxidase A/Amine oxidase [flavin-containing] A in Human [ChEMBL: CHEMBL1951] [GtoPdb: 2489] [UniProtKB: P21397]
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  • Monoamine oxidase B/Amine oxidase [flavin-containing] B in Human [ChEMBL: CHEMBL2039] [GtoPdb: 2490] [UniProtKB: P27338]
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  • Amyloid-beta precursor protein in Human [ChEMBL: CHEMBL2487] [UniProtKB: P05067]
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  • ABCB1/ATP-dependent translocase ABCB1 in Human [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183]
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  • beta-secretase 1/Beta-secretase 1 in Human [ChEMBL: CHEMBL4822] [GtoPdb: 2330] [UniProtKB: P56817]
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  • ABCG2/Broad substrate specificity ATP-binding cassette transporter ABCG2 in Human [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0]
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  • calcium/calmodulin-dependent protein kinase II alpha subunit/Calcium/calmodulin-dependent protein kinase type II subunit alpha in Human [ChEMBL: CHEMBL4147] [GtoPdb: 1555] [UniProtKB: Q9UQM7]
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  • carbonic anhydrase 1/Carbonic anhydrase 1 in Human [ChEMBL: CHEMBL261] [GtoPdb: 2597] [UniProtKB: P00915]
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  • carbonic anhydrase 12/Carbonic anhydrase 12 in Human [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570]
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  • carbonic anhydrase 13/Carbonic anhydrase 13 in Human [ChEMBL: CHEMBL3912] [GtoPdb: 2748] [UniProtKB: Q8N1Q1]
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  • carbonic anhydrase 14/Carbonic anhydrase 14 in Human [ChEMBL: CHEMBL3510] [GtoPdb: 2598] [UniProtKB: Q9ULX7]
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  • carbonic anhydrase 2/Carbonic anhydrase 2 in Human [ChEMBL: CHEMBL205] [GtoPdb: 3092] [UniProtKB: P00918]
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  • carbonic anhydrase 4/Carbonic anhydrase 4 in Human [ChEMBL: CHEMBL3729] [GtoPdb: 2599] [UniProtKB: P22748]
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  • carbonic anhydrase 5A/Carbonic anhydrase 5A, mitochondrial in Human [ChEMBL: CHEMBL4789] [GtoPdb: 3093] [UniProtKB: P35218]
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  • Carbonic anhydrase 5B, mitochondrial in Human [ChEMBL: CHEMBL3969] [UniProtKB: Q9Y2D0]
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  • carbonic anhydrase 7/Carbonic anhydrase 7 in Human [ChEMBL: CHEMBL2326] [GtoPdb: 2749] [UniProtKB: P43166]
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  • carbonic anhydrase 9/Carbonic anhydrase 9 in Human [ChEMBL: CHEMBL3594] [GtoPdb: 3055] [UniProtKB: Q16790]
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  • casein kinase 1 epsilon/Casein kinase I isoform epsilon in Human [ChEMBL: CHEMBL4937] [GtoPdb: 1998] [UniProtKB: P49674]
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  • CDGSH iron-sulfur domain-containing protein 1 in Human [ChEMBL: CHEMBL1795168] [UniProtKB: Q9NZ45]
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  • Cell division protein FtsZ in Bacillus subtilis (strain 168) [ChEMBL: CHEMBL5690] [UniProtKB: P17865]
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  • butyrylcholinesterase/Cholinesterase in Human [ChEMBL: CHEMBL1914] [GtoPdb: 2471] [UniProtKB: P06276]
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  • CREB binding lysine acetyltransferase/CREB-binding protein in Human [ChEMBL: CHEMBL5747] [GtoPdb: 2734] [UniProtKB: Q92793]
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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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  • DNA methyltransferase 1/DNA (cytosine-5)-methyltransferase 1 in Human [ChEMBL: CHEMBL1993] [GtoPdb: 2605] [UniProtKB: P26358]
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  • DNA topoisomerase II alpha/DNA topoisomerase 2-alpha in Human [ChEMBL: CHEMBL1806] [GtoPdb: 2637] [UniProtKB: P11388]
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  • CDC like kinase 1/Dual specificity protein kinase CLK1 in Human [ChEMBL: CHEMBL4224] [GtoPdb: 1990] [UniProtKB: P49759]
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  • CDC like kinase 2/Dual specificity protein kinase CLK2 in Human [ChEMBL: CHEMBL4225] [GtoPdb: 1991] [UniProtKB: P49760]
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  • CDC like kinase 3/Dual specificity protein kinase CLK3 in Human [ChEMBL: CHEMBL4226] [GtoPdb: 1992] [UniProtKB: P49761]
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  • CDC like kinase 4/Dual specificity protein kinase CLK4 in Human [ChEMBL: CHEMBL4203] [GtoPdb: 1993] [UniProtKB: Q9HAZ1]
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  • dual specificity tyrosine phosphorylation regulated kinase 1A/Dual specificity tyrosine-phosphorylation-regulated kinase 1A in Human [ChEMBL: CHEMBL2292] [GtoPdb: 2009] [UniProtKB: Q13627]
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  • dual specificity tyrosine phosphorylation regulated kinase 1B/Dual specificity tyrosine-phosphorylation-regulated kinase 1B in Human [ChEMBL: CHEMBL5543] [GtoPdb: 2010] [UniProtKB: Q9Y463]
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  • dual specificity tyrosine phosphorylation regulated kinase 2/Dual specificity tyrosine-phosphorylation-regulated kinase 2 in Human [ChEMBL: CHEMBL4376] [GtoPdb: 2011] [UniProtKB: Q92630]
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  • dual specificity tyrosine phosphorylation regulated kinase 3/Dual specificity tyrosine-phosphorylation-regulated kinase 3 in Human [ChEMBL: CHEMBL4575] [GtoPdb: 2012] [UniProtKB: O43781]
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  • dual specificity tyrosine phosphorylation regulated kinase 4/Dual specificity tyrosine-phosphorylation-regulated kinase 4 in Human [ChEMBL: CHEMBL1075115] [GtoPdb: 2013] [UniProtKB: Q9NR20]
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  • Enoyl-[acyl-carrier-protein] reductase [NADH] FabI in Escherichia coli [ChEMBL: CHEMBL1857] [UniProtKB: P0AEK4]
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  • epidermal growth factor receptor/Epidermal growth factor receptor in Human [ChEMBL: CHEMBL203] [GtoPdb: 1797] [UniProtKB: P00533]
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  • Glutathione-S-transferase in Schistosoma japonicum [ChEMBL: CHEMBL4105850] [UniProtKB: Q26513]
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  • Glutathione S-transferase Mu 2 in Human [ChEMBL: CHEMBL4589] [UniProtKB: P28161]
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  • glycogen synthase kinase 3 beta/Glycogen synthase kinase-3 beta in Human [ChEMBL: CHEMBL262] [GtoPdb: 2030] [UniProtKB: P49841]
  • glycogen synthase kinase 3 beta/Glycogen synthase kinase-3 beta in Rat [ChEMBL: CHEMBL3669] [GtoPdb: 2030] [UniProtKB: P18266]
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  • Sodium/bile acid and sulphated solute cotransporter 1/Hepatic sodium/bile acid cotransporter in Human [ChEMBL: CHEMBL5287] [GtoPdb: 959] [UniProtKB: Q14973]
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  • EP300 lysine acetyltransferase/Histone acetyltransferase p300 in Human [ChEMBL: CHEMBL3784] [GtoPdb: 2735] [UniProtKB: Q09472]
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  • histone acetyltransferase 1/Histone acetyltransferase type B catalytic subunit in Human [ChEMBL: CHEMBL4523128] [GtoPdb: 2657] [UniProtKB: O14929]
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  • histone deacetylase 1/Histone deacetylase 1 in Human [ChEMBL: CHEMBL325] [GtoPdb: 2658] [UniProtKB: Q13547]
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  • histone deacetylase 2/Histone deacetylase 2 in Human [ChEMBL: CHEMBL1937] [GtoPdb: 2616] [UniProtKB: Q92769]
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  • histone deacetylase 8/Histone deacetylase 8 in Human [ChEMBL: CHEMBL3192] [GtoPdb: 2619] [UniProtKB: Q9BY41]
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  • Human immunodeficiency virus type 1 integrase in Human immunodeficiency virus 1 [ChEMBL: CHEMBL3471] [UniProtKB: Q7ZJM1]
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  • lysine demethylase 1A/Lysine-specific histone demethylase 1A in Human [ChEMBL: CHEMBL6136] [GtoPdb: 2669] [UniProtKB: O60341]
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  • MMP9/Matrix metalloproteinase-9 in Human [ChEMBL: CHEMBL321] [GtoPdb: 1633] [UniProtKB: P14780]
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  • Multidrug resistance protein CDR1 in Candida albicans [ChEMBL: CHEMBL1163109] [UniProtKB: P43071]
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  • NLRP3/NACHT, LRR and PYD domains-containing protein 3 in Human [ChEMBL: CHEMBL1741208] [GtoPdb: 1770] [UniProtKB: Q96P20]
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  • Neuraminidase in Influenza A virus (strain A/USSR/90/1977 H1N1) [ChEMBL: CHEMBL3559643] [UniProtKB: P03469]
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  • Inducible NOS/Nitric oxide synthase, inducible in Human [ChEMBL: CHEMBL4481] [GtoPdb: 1250] [UniProtKB: P35228]
  • Inducible NOS/Nitric oxide synthase, inducible in Mouse [ChEMBL: CHEMBL3464] [GtoPdb: 1250] [UniProtKB: P29477]
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  • nuclear factor, erythroid 2 like 2/Nuclear factor erythroid 2-related factor 2 in Human [ChEMBL: CHEMBL1075094] [GtoPdb: 3057] [UniProtKB: Q16236]
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  • nuclear factor kappa B subunit 1/nuclear factor kappa B subunit 2/RELA proto-oncogene, NF-kB subunit/Nuclear factor NF-kappa-B complex in Human [ChEMBL: CHEMBL2094258] [GtoPdb: 3281, 3282, 3280] [UniProtKB: P19838, Q00653, Q04206]
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  • nuclear factor kappa B subunit 1/Nuclear factor NF-kappa-B p105 subunit in Human [ChEMBL: CHEMBL3251] [GtoPdb: 3281] [UniProtKB: P19838]
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  • Orphan methyltransferase M.SssI in Spiroplasma monobiae [ChEMBL: CHEMBL4373] [UniProtKB: P15840]
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  • 5-LOX/Polyunsaturated fatty acid 5-lipoxygenase in Human [ChEMBL: CHEMBL215] [GtoPdb: 1385] [UniProtKB: P09917]
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  • 15-LOX-1/Polyunsaturated fatty acid lipoxygenase ALOX15 in Human [ChEMBL: CHEMBL2903] [GtoPdb: 1388] [UniProtKB: P16050]
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  • COX-1 /Prostaglandin G/H synthase 1 in Human [ChEMBL: CHEMBL221] [GtoPdb: 1375] [UniProtKB: P23219]
  • Prostaglandin G/H synthase 1 in Sheep [ChEMBL: CHEMBL2949] [UniProtKB: P05979]
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  • COX-2 /Prostaglandin G/H synthase 2 in Human [ChEMBL: CHEMBL230] [GtoPdb: 1376] [UniProtKB: P35354]
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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 C delta/Protein kinase C delta type in Human [ChEMBL: CHEMBL2996] [GtoPdb: 1485] [UniProtKB: Q05655]
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  • protein kinase C epsilon/Protein kinase C epsilon type in Human [ChEMBL: CHEMBL3582] [GtoPdb: 1486] [UniProtKB: Q02156]
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  • protein kinase C theta/Protein kinase C theta type in Human [ChEMBL: CHEMBL3920] [GtoPdb: 1488] [UniProtKB: Q04759]
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  • SRC proto-oncogene, non-receptor tyrosine kinase/Proto-oncogene tyrosine-protein kinase Src in Mouse [ChEMBL: CHEMBL3074] [GtoPdb: 2206] [UniProtKB: P05480]
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  • CoV 3C-like (main) protease/CoV Replicase polyprotein 1a/Replicase polyprotein 1a in Severe acute respiratory syndrome-related coronavirus [ChEMBL: CHEMBL3927] [GtoPdb: 3111, 3124] [UniProtKB: P0C6U8]
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  • CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/Replicase polyprotein 1ab in Severe acute respiratory syndrome-related coronavirus [ChEMBL: CHEMBL5118] [GtoPdb: 3125, 3139, 3206] [UniProtKB: P0C6X7]
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  • Rhodesain in Trypanosoma brucei rhodesiense [ChEMBL: CHEMBL4188] [UniProtKB: Q95PM0]
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  • Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 in Rabbit [ChEMBL: CHEMBL4693] [UniProtKB: P04191]
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  • SERCA2/Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 in Human [ChEMBL: CHEMBL3901] [GtoPdb: 841] [UniProtKB: P16615]
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  • SERCA3/Sarcoplasmic/endoplasmic reticulum calcium ATPase 3 in Human [ChEMBL: CHEMBL2401] [GtoPdb: 842] [UniProtKB: Q93084]
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  • p21 (RAC1) activated kinase 1/Serine/threonine-protein kinase PAK 1 in Human [ChEMBL: CHEMBL4600] [GtoPdb: 2133] [UniProtKB: Q13153]
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  • signal transducer and activator of transcription 3/Signal transducer and activator of transcription 3 in Human [ChEMBL: CHEMBL4026] [GtoPdb: 2994] [UniProtKB: P40763]
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  • coagulation factor III, tissue factor/Tissue factor in Human [ChEMBL: CHEMBL4081] [GtoPdb: 3192] [UniProtKB: P13726]
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  • Vitamin D receptor/Vitamin D3 receptor in Human [ChEMBL: CHEMBL1977] [GtoPdb: 605] [UniProtKB: P11473]
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  • TRPV4 in Human [GtoPdb: 510] [UniProtKB: Q9HBA0]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
hydroxysteroid 11-beta dehydrogenase 1/11-beta-hydroxysteroid dehydrogenase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4235] [GtoPdb: 2763] [UniProtKB: P28845]
ChEMBL Inhibition of 11beta-HSD1 in human liver microsomes using [3H]-cortisone as substrate assessed as formation of cortisol after 60 to 90 mins by radiometric analysis B 4.8 pIC50 15983 nM IC50 Bioorg Med Chem Lett (2013) 23: 4362-4366 [PMID:23800686]
ChEMBL Inhibition of human 11beta-HSD1 transfected in CHOP cells B 5.35 pIC50 4501 nM IC50 Bioorg Med Chem Lett (2013) 23: 4362-4366 [PMID:23800686]
ChEMBL Inhibition of human 11beta-HSD1 incubated for 2 hrs B 5.64 pIC50 2295 nM IC50 Eur J Med Chem (2020) 191: 112134-112134 [PMID:32088493]
hydroxysteroid 11-beta dehydrogenase 1/11-beta-hydroxysteroid dehydrogenase 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2391] [GtoPdb: 2763] [UniProtKB: P16232]
ChEMBL Inhibition of rat 11beta-HSD1 expressed in Leydig cells incubated for 2 hrs B 5.24 pIC50 5785 nM IC50 Eur J Med Chem (2020) 191: 112134-112134 [PMID:32088493]
ChEMBL Inhibition of 11beta-HSD1 in rat testis microsomes using [3H]-11-DHC as substrate assessed as formation of CORT after 60 to 90 mins by radiometric analysis B 5.38 pIC50 4125 nM IC50 Bioorg Med Chem Lett (2013) 23: 4362-4366 [PMID:23800686]
ChEMBL Inhibition of 11beta-HSD1 in Sprague-Dawley rat leydig cells at 100 uM B 5.41 pIC50 3921 nM IC50 Bioorg Med Chem Lett (2013) 23: 4362-4366 [PMID:23800686]
hydroxysteroid 11-beta dehydrogenase 2/11-beta-hydroxysteroid dehydrogenase type 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3746] [GtoPdb: 3143] [UniProtKB: P80365]
ChEMBL Inhibition of 11beta-HSD2 in human kidney microsomes using [3H]-cortisol as substrate assessed as formation of cortisone at 100 uM after 30 mins by radiometric analysis relative to control B 4.8 pIC50 15696 nM IC50 Bioorg Med Chem Lett (2013) 23: 4362-4366 [PMID:23800686]
ChEMBL Inhibition of human 11beta-HSD2 incubated for 2 hrs B 4.84 pIC50 14560 nM IC50 Eur J Med Chem (2020) 191: 112134-112134 [PMID:32088493]
11-beta-hydroxysteroid dehydrogenase type 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2908] [UniProtKB: P50233]
ChEMBL Inhibition of 11beta-HSD2 in rat kidney microsomes using [3H]-CORT as substrate assessed as formation of 11-DHC at 100 uM after 30 mins by radiometric analysis relative to control B 4.83 pIC50 14939 nM IC50 Bioorg Med Chem Lett (2013) 23: 4362-4366 [PMID:23800686]
hydroxysteroid 17-beta dehydrogenase 2/17-beta-hydroxysteroid dehydrogenase type 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2789] [GtoPdb: 3094] [UniProtKB: P37059]
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 5.76 pIC50 1730 nM IC50 J Nat Prod (2017) 80: 965-974 [PMID:28319389]
17-beta-hydroxysteroid dehydrogenase type 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4234] [UniProtKB: P37058]
ChEMBL Inhibition of 17beta-HSD3 in human testis microsomes B 4.17 pIC50 67300 nM IC50 Bioorg Med Chem Lett (2010) 20: 2549-2551 [PMID:20346654]
17-beta-hydroxysteroid dehydrogenase type 3 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075158] [UniProtKB: O54939]
ChEMBL Inhibition of 17beta-HSD3 in Sprague-Dawley rat laydig cells B 5.05 pIC50 9000 nM IC50 Bioorg Med Chem Lett (2010) 20: 2549-2551 [PMID:20346654]
ChEMBL Inhibition of 17beta-HSD3 in Sprague-Dawley rat testis microsomes B 5.64 pIC50 2300 nM IC50 Bioorg Med Chem Lett (2010) 20: 2549-2551 [PMID:20346654]
Acetylcholinesterase in Electrophorus electricus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4078] [UniProtKB: O42275]
ChEMBL Inhibition of electric eel AChE using acetylcholine chloride as substrate preincubated for 15 mins by Ellman's method B 4 pIC50 >100000 nM IC50 Bioorg Med Chem (2011) 19: 7228-7235 [PMID:22041172]
ChEMBL Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method B 4.09 pIC50 81050 nM IC50 Bioorg Med Chem Lett (2013) 23: 2880-2882 [PMID:23583510]
acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303]
ChEMBL Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate pretreated for 15 mins followed by substrate addition measured for 2 mins by DTNB reagent based spectrophotometric method B 5.3 pIC50 >5000 nM IC50 Eur J Med Chem (2017) 130: 139-153 [PMID:28242549]
synuclein alpha/Alpha-synuclein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6152] [GtoPdb: 3285] [UniProtKB: P37840]
ChEMBL Binding affinity to alpha-synuclein LMV 50 kDa (unknown origin) expressed in Escherichia coli BL21(DE3) cells incubated for 30 mins by spectrofluorometric analysis B 5.19 pKd 6500 nM Kd Eur J Med Chem (2019) 167: 10-36 [PMID:30743095]
ChEMBL Binding affinity to alpha-synuclein LMV 100 kDa (unknown origin) expressed in Escherichia coli BL21(DE3) cells incubated for 30 mins by spectrofluorometric analysis B 5.3 pKd 5000 nM Kd Eur J Med Chem (2019) 167: 10-36 [PMID:30743095]
ChEMBL Binding affinity to alpha-synuclein oligomer (unknown origin) expressed in Escherichia coli BL21(DE3) cells incubated for 30 mins by spectrofluorometric analysis B 5.7 pKd 2000 nM Kd Eur J Med Chem (2019) 167: 10-36 [PMID:30743095]
ChEMBL Binding affinity to alpha-synuclein preformed fibrils (unknown origin) expressed in Escherichia coli BL21(DE3) cells incubated for 30 mins by spectrofluorometric analysis B 6.3 pKd 500 nM Kd Eur J Med Chem (2019) 167: 10-36 [PMID:30743095]
ChEMBL Inhibition of alpha-Synuclein (unknown origin) aggregation incubated for 72 hrs by ThT-based fluorescence analysis B 5.48 pIC50 3300 nM IC50 Bioorg Med Chem (2023) 96: 117529-117529 [PMID:37976808]
ChEMBL Inhibition of alpha-synuclein fibril formation (unknown origin) incubated for 24 hrs to 7 days by thioflavin S based fluorescence assay B 6.66 pIC50 220 nM IC50 Eur J Med Chem (2019) 167: 10-36 [PMID:30743095]
Monoamine oxidase A/Amine oxidase [flavin-containing] A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1951] [GtoPdb: 2489] [UniProtKB: P21397]
ChEMBL Inhibition of recombinant human MAO-A using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate addition measured for 15 mins by amplex red assay B 6.15 pKi 710 nM Ki ACS Med Chem Lett (2016) 7: 56-61 [PMID:26819666]
ChEMBL Inhibition of recombinant human MAOA using kynuramine as substrate by fluorescence based assay B 5.3 pIC50 5020 nM IC50 Bioorg Med Chem Lett (2020) 30: 127188-127188 [PMID:32299731]
ChEMBL Inhibition of recombinant human MAO-A using using kynuramine as substrate assessed as inhibition of 4-hydroxyquinoline formation incubated for 20 mins by fluorescence spectrophotometric analysis B 5.56 pIC50 2740 nM IC50 Bioorg Med Chem Lett (2022) 77: 129038-129038 [PMID:36307034]
ChEMBL Inhibition of human recombinant MAO-A assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometry B 5.56 pIC50 2740 nM IC50 Bioorg Med Chem (2022) 73: 117030-117030 [PMID:36179486]
Monoamine oxidase B/Amine oxidase [flavin-containing] B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2039] [GtoPdb: 2490] [UniProtKB: P27338]
ChEMBL Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate addition measured for 15 mins by amplex red assay B 4.67 pKi 21500 nM Ki ACS Med Chem Lett (2016) 7: 56-61 [PMID:26819666]
ChEMBL Inhibition of recombinant human MAO-B using using kynuramine as substrate assessed as inhibition of 4-hydroxyquinoline formation incubated for 20 mins by fluorescence spectrophotometric analysis B 5.59 pIC50 2580 nM IC50 Bioorg Med Chem Lett (2022) 77: 129038-129038 [PMID:36307034]
ChEMBL Inhibition of human recombinant MAO-B assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometry B 5.59 pIC50 2580 nM IC50 Bioorg Med Chem (2022) 73: 117030-117030 [PMID:36179486]
ChEMBL Inhibition of recombinant human MAOB using kynuramine as substrate by fluorescence based assay B 5.59 pIC50 2560 nM IC50 Bioorg Med Chem Lett (2020) 30: 127188-127188 [PMID:32299731]
Aminopeptidase N in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1907] [GtoPdb: 1560] [UniProtKB: P15144]
ChEMBL Inhibition of APN (unknown origin) B 4.81 pIC50 15500 nM IC50 J Med Chem (2018) 61: 6468-6490 [PMID:29630364]
ChEMBL Inhibition of aminopeptidase N (unknown origin) B 5 pIC50 10000 nM IC50 Bioorg Med Chem Lett (2013) 23: 4948-4952 [PMID:23860593]
Aminopeptidase N in Pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2590] [UniProtKB: P15145]
ChEMBL Inhibition of pig microsomal aminopeptidase N using L-leu-p-nitroanilide as substrate incubated for 5 mins prior to substrate addition measured after 30 mins by spectrophotometric analysis B 4.81 pIC50 15500 nM IC50 Bioorg Med Chem Lett (2013) 23: 4948-4952 [PMID:23860593]
Amyloid-beta precursor protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2487] [UniProtKB: P05067]
ChEMBL Displacement of [125I]IMSB from beta amyloid protein 40 B 9.68 pKi 0.21 nM Ki J Med Chem (2006) 49: 6111-6119 [PMID:17004725]
ChEMBL Inhibition of amyloid beta 42 (unknown origin) aggregation incubated for 24 hrs by ThT assay B 4.61 pIC50 24400 nM IC50 J Nat Prod (2023) 86: 2162-2170 [PMID:37615114]
ChEMBL Inhibition of HFIP-pretreated amyloid beta (1 to 42 residues) (unknown origin) self aggregation after 24 hrs by ThT-based fluorometric method B 4.65 pIC50 22510 nM IC50 Eur J Med Chem (2017) 136: 36-51 [PMID:28478343]
ChEMBL Inhibition of self-induced amyloid beta (1 to 42) (unknown origin) aggregation incubated for 48 hrs measured after 5 mins by thioflavin-T fluorescence assay B 4.66 pIC50 21810 nM IC50 Bioorg Med Chem (2016) 24: 3829-3841 [PMID:27353888]
ChEMBL Inhibition of HFIP-pretreated amyloid beta (1 to 42) (unknown origin) self-induced aggregation after 48 hrs by thioflavin-T fluorescence assay B 4.66 pIC50 21810 nM IC50 Eur J Med Chem (2017) 125: 736-750 [PMID:27721157]
ChEMBL Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation incubated for 48 hrs by ThioflavinT staining based fluorescence assay B 4.69 pIC50 20340 nM IC50 RSC Med Chem (2024) 15: 2745-2765 [PMID:39149102]
ChEMBL Inhibition of amyloid beta (1 to 42) (unknown origin) self-induced aggregation after 48 hrs by thioflavin T fluorescence assay B 4.69 pIC50 20300 nM IC50 Eur J Med Chem (2013) 69: 632-646 [PMID:24095756]
ChEMBL Inhibition of amyloid beta 42 secretion transfected in human H4 cells incubated for 20 to 24 hrs by LPECL assay B 4.7 pIC50 >20000 nM IC50 Eur J Med Chem (2021) 214: 113209-113209 [PMID:33548635]
ChEMBL Inhibition of amyloid beta 40 secretion transfected in human H4 cells incubated for 20 to 24 hrs by LPECL assay B 4.7 pIC50 >20000 nM IC50 Eur J Med Chem (2021) 214: 113209-113209 [PMID:33548635]
ChEMBL Inhibition of HFIP-pretreated amyloid beta (1 to 42) (unknown origin) self-induced aggregation incubated for 24 hrs under dark condition by thioflavin-T based fluorometric assay B 4.73 pIC50 18730 nM IC50 Eur J Med Chem (2017) 127: 174-186 [PMID:28061347]
ChEMBL Inhibition of HFIP-pretreated amyloid beta (1 to 42) (unknown origin) self-induced aggregation after 24 hrs by thioflavin-T fluorescence assay B 4.73 pIC50 18730 nM IC50 Bioorg Med Chem (2018) 26: 5759-5765 [PMID:30360953]
ChEMBL Inhibition of self-mediated amyloid beta (1 to 42) (unknown origin) aggregation after 48 hrs by thioflavin T fluorescence assay B 4.74 pIC50 18250 nM IC50 Eur J Med Chem (2016) 122: 17-26 [PMID:27343850]
ChEMBL Inhibition of amyloid beta (1 to 42) (unknown origin) self aggregation incubated for 48 hrs by thioflavin-T fluorescence method B 4.79 pIC50 16250 nM IC50 Bioorg Med Chem Lett (2020) 30: 127659-127659 [PMID:33137375]
ChEMBL Inhibition of amyloid beta (1 to 42) (unknown origin) self-aggregation after 24 hrs by thioflavin-T fluorescence assay B 4.82 pIC50 14990 nM IC50 Eur J Med Chem (2018) 151: 351-362 [PMID:29635167]
ChEMBL Inhibition of self-induced aggregation of amyloid beta (1 to 42) (unknown origin) after 48 hrs by thioflavin T-based fluorescence method B 4.86 pIC50 13700 nM IC50 Medchemcomm (2018) 9: 1862-1870 [PMID:30568754]
ChEMBL Inhibition of self-mediated amyloid beta (1 to 42) aggregation (unknown origin) after 48 hrs by thioflavin T fluorescence assay B 4.91 pIC50 12350 nM IC50 J Med Chem (2013) 56: 5843-5859 [PMID:23799643]
ChEMBL Inhibition of self-mediated amyloid beta (1 to 42) (unknown origin) aggregation after 10 hrs by thioflavin T based fluorometric assay B 4.95 pIC50 11300 nM IC50 Bioorg Med Chem Lett (2016) 26: 747-750 [PMID:26783181]
ChEMBL Inhibition of self mediated amyloid beta (1 to 42) aggregation (unknown origin) after 10 hrs by ThT-based fluorescence assay B 4.96 pIC50 11000 nM IC50 Bioorg Med Chem (2014) 22: 4784-4791 [PMID:25088549]
ChEMBL Inhibition of human amyloid beta (1 to 42) aggregation after 46 to 48 hrs by Thioflavin T fluorescence assay B 5 pIC50 10000 nM IC50 J Nat Prod (2017) 80: 278-289 [PMID:28128562]
ChEMBL Inhibition of HFIP-induced human recombinant amyloid beta (1 to 42 residues) aggregation expressed in Escherichia coli measured over 24 hrs by ThT-based fluorescence spectroscopic method B 5 pIC50 9900 nM IC50 Eur J Med Chem (2017) 126: 823-843 [PMID:27951490]
ChEMBL Inhibition of HFIP-pretreated amyloid beta (1 to 42 residues) (unknown origin) aggregation after 24 hrs by ThT fluorescence assay B 5.05 pIC50 9000 nM IC50 Bioorg Med Chem Lett (2017) 27: 1405-1411 [PMID:28216401]
ChEMBL Inhibition of Abeta42 (unknown origin) aggregation measured after 24 hrs by ThT fluorescence assay B 5.05 pIC50 9000 nM IC50 Bioorg Med Chem Lett (2016) 26: 3330-3335 [PMID:27256911]
ChEMBL Inhibition of amyloid beta (1 to 42) (unknown origin) self-induced aggregation incubated for 24 hrs by Thioflavin T based fluorometric assay B 5.08 pIC50 8270 nM IC50 Bioorg Med Chem (2021) 44: 116306-116306 [PMID:34274550]
ChEMBL Inhibition of amyloid beta (1 to 42) (unknown origin) self aggregation B 5.19 pIC50 6385 nM IC50 Eur J Med Chem (2019) 180: 656-672 [PMID:31352246]
ChEMBL Inhibition of amyloid beta (1 to 42 residues) (unknown origin) aggregation after 24 hrs by thioflavin T fluorescence assay B 5.27 pIC50 5400 nM IC50 Bioorg Med Chem Lett (2016) 26: 5024-5028 [PMID:27624076]
ChEMBL Inhibition of amyloid-beta (unknown origin) B 5.27 pIC50 5400 nM IC50 RSC Med Chem (2023) 14: 2535-2563 [PMID:38107170]
ChEMBL Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation after 48 hrs by thioflavin T fluorescence assay B 5.41 pIC50 3900 nM IC50 J Nat Prod (2015) 78: 1593-1599 [PMID:26099993]
ChEMBL Inhibition of human biotinylated amyloid beta (1 to 42) oligomerization assessed as decrease in oligomer abundance measured after 1 hr by ELISA B 5.41 pIC50 3850 nM IC50 Bioorg Med Chem (2021) 43: 116247-116247 [PMID:34157569]
ChEMBL Inhibition of amyloid beta (1 to 42) fibrillization (unknown origin) incubated with agitation for 1 min every hr measured over 80 hrs by thioflavin-T assay B 5.47 pIC50 3400 nM IC50 Eur J Med Chem (2018) 158: 393-404 [PMID:30227353]
ChEMBL Inhibition of HFIP-induced human recombinant amyloid beta (1 to 40 residues) aggregation expressed in Escherichia coli measured over 24 hrs by ThT-based fluorescence spectroscopic method B 5.48 pIC50 3300 nM IC50 Eur J Med Chem (2017) 126: 823-843 [PMID:27951490]
ChEMBL Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis B 5.51 pIC50 3100 nM IC50 ACS Med Chem Lett (2016) 7: 502-507 [PMID:27190601]
ChEMBL Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis B 5.82 pIC50 1500 nM IC50 ACS Med Chem Lett (2016) 7: 502-507 [PMID:27190601]
ChEMBL Inhibition of amyloid beta (1 to 40 residues) (unknown origin) fibril formation by thioflavin-T fluorescence based assay B 6 pIC50 1000 nM IC50 J Med Chem (2017) 60: 1620-1637 [PMID:28074653]
ChEMBL Inhibition of amyloid beta 40 (unknown origin) assessed as disaggregation of fibrillar amyloid beta 40 incubated for 3 days by ELISA assay B 6 pIC50 1000 nM IC50 Eur J Med Chem (2021) 214: 113209-113209 [PMID:33548635]
ChEMBL Inhibition of amyloid-beta (unknown origin) B 6 pIC50 <=1000 nM IC50 Eur J Med Chem (2024) 270: 116333-116333 [PMID:38569434]
ChEMBL Inhibition of amyloid beta (unknown origin) incubated for 7 days by sandwich ELISA B 6.05 pIC50 900 nM IC50 Eur J Med Chem (2021) 214: 113209-113209 [PMID:33548635]
ChEMBL Inhibition of human amyloid beta (1 to 40) aggregation after 1 hr by thioflavin-T fluorescence assay B 6.1 pIC50 800 nM IC50 J Nat Prod (2017) 80: 278-289 [PMID:28128562]
ChEMBL Inhibition of amyloid beta42 fibril formation by thioflavin T formation B 6.1 pIC50 800 nM IC50 Bioorg Med Chem Lett (2008) 18: 5591-5593 [PMID:18793854]
ChEMBL Inhibition of amyloid beta 42 fibril formation by thioflavin T assay B 6.1 pIC50 800 nM IC50 Bioorg Med Chem Lett (2007) 17: 1466-1470 [PMID:17270435]
ChEMBL Inhibition of amyloid beta (1 to 42) aggregation (unknown origin) by ThT fluorescence assay B 6.2 pIC50 630 nM IC50 Bioorg Med Chem (2017) 25: 1195-1201 [PMID:28043778]
ChEMBL Inhibition of amyloid beta 42 transfected in human H4 cells incubated for 20 to 24 hrs by LPECL assay B 6.97 pIC50 107 nM IC50 Eur J Med Chem (2021) 214: 113209-113209 [PMID:33548635]
ABCB1/ATP-dependent translocase ABCB1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183]
ChEMBL Inhibition of P-gp in human LS180 cells after 90 mins by rhodamine123 cell exclusion method B 4.21 pIC50 62000 nM IC50 Medchemcomm (2014) 5: 1540-1547
ChEMBL Inhibition of MDR1 (unknown origin) B 6 pIC50 <=1000 nM IC50 Eur J Med Chem (2024) 270: 116333-116333 [PMID:38569434]
beta-secretase 1/Beta-secretase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4822] [GtoPdb: 2330] [UniProtKB: P56817]
ChEMBL Inhibition of beta-secretase using rhodamine-EVNLDAEFK-quencher as substrate after 60 mins by fluorescence resonance energy transfer assay B 5.24 pIC50 5700 nM IC50 Bioorg Med Chem (2012) 20: 6739-6750 [PMID:23041347]
ChEMBL Inhibition of beta-secretase (unknown origin) using 150 nM Rhodamine-EVNLDAEFK-quencher substrate proteolysis by fluorescence resonance energy transfer assay B 5.28 pIC50 5300 nM IC50 Bioorg Med Chem (2014) 22: 4784-4791 [PMID:25088549]
ABCG2/Broad substrate specificity ATP-binding cassette transporter ABCG2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0]
ChEMBL Inhibition of ABCG2 (unknown origin) expressed in human MCF7-VP cells mediated mitoxantrone efflux assessed as intracellular mitoxantrone level and measured after 45 mins by flow cytometry analysis B 5.79 pIC50 1630 nM IC50 Eur J Med Chem (2022) 237: 114346-114346 [PMID:35483322]
calcium/calmodulin-dependent protein kinase II alpha subunit/Calcium/calmodulin-dependent protein kinase type II subunit alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4147] [GtoPdb: 1555] [UniProtKB: Q9UQM7]
ChEMBL Inhibition of autophosphorylated alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min B 4.35 pIC50 45000 nM IC50 Bioorg Med Chem (2012) 20: 6040-6047 [PMID:22989913]
ChEMBL Inhibition of alphaCaMK2 T286D mutant using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min in presence of EGTA B 4.43 pIC50 37000 nM IC50 Bioorg Med Chem (2012) 20: 6040-6047 [PMID:22989913]
ChEMBL Inhibition of autophosphorylated alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min in presence of EGTA B 4.47 pIC50 34000 nM IC50 Bioorg Med Chem (2012) 20: 6040-6047 [PMID:22989913]
ChEMBL Inhibition of alphaCaMK2 autophosphorylation at Thr286 using [gamma32P]ATP incubated for 30 secs prior to ATP addition measured after 30 secs B 4.48 pIC50 33000 nM IC50 Bioorg Med Chem (2012) 20: 6040-6047 [PMID:22989913]
ChEMBL Inhibition of alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min B 4.68 pIC50 21000 nM IC50 Bioorg Med Chem (2012) 20: 6040-6047 [PMID:22989913]
ChEMBL Inhibition of alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min B 4.89 pIC50 13000 nM IC50 Bioorg Med Chem (2012) 20: 6040-6047 [PMID:22989913]
carbonic anhydrase 1/Carbonic anhydrase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL261] [GtoPdb: 2597] [UniProtKB: P00915]
ChEMBL Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration method B 5.62 pKi 2410 nM Ki Bioorg Med Chem Lett (2010) 20: 5050-5053 [PMID:20674354]
carbonic anhydrase 12/Carbonic anhydrase 12 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570]
ChEMBL Inhibition of human carbonic anhydrase 12 after 15 mins by stopped flow CO2 hydration method B 5.46 pKi 3480 nM Ki Bioorg Med Chem Lett (2010) 20: 5050-5053 [PMID:20674354]
carbonic anhydrase 13/Carbonic anhydrase 13 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3912] [GtoPdb: 2748] [UniProtKB: Q8N1Q1]
ChEMBL Inhibition of human carbonic anhydrase 13 after 15 mins by stopped flow CO2 hydration method B 5.16 pKi 6850 nM Ki Bioorg Med Chem Lett (2010) 20: 5050-5053 [PMID:20674354]
carbonic anhydrase 14/Carbonic anhydrase 14 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3510] [GtoPdb: 2598] [UniProtKB: Q9ULX7]
ChEMBL Inhibition of human carbonic anhydrase 14 after 15 mins by stopped flow CO2 hydration method B 4.93 pKi 11730 nM Ki Bioorg Med Chem Lett (2010) 20: 5050-5053 [PMID:20674354]
Carbonic anhydrase 15 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5973] [UniProtKB: Q99N23]
ChEMBL Inhibition of mouse carbonic anhydrase 15 after 15 mins by stopped flow CO2 hydration method B 5.29 pKi 5090 nM Ki Bioorg Med Chem Lett (2010) 20: 5050-5053 [PMID:20674354]
carbonic anhydrase 2/Carbonic anhydrase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL205] [GtoPdb: 3092] [UniProtKB: P00918]
ChEMBL Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration method B 6.42 pKi 380 nM Ki Bioorg Med Chem Lett (2010) 20: 5050-5053 [PMID:20674354]
Carbonic anhydrase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2885] [UniProtKB: P07451]
ChEMBL Inhibition of human carbonic anhydrase 3 after 15 mins by stopped flow CO2 hydration method B 4.95 pKi 11300 nM Ki Bioorg Med Chem Lett (2010) 20: 5050-5053 [PMID:20674354]
carbonic anhydrase 4/Carbonic anhydrase 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3729] [GtoPdb: 2599] [UniProtKB: P22748]
ChEMBL Inhibition of human carbonic anhydrase 4 after 15 mins by stopped flow CO2 hydration method B 5.3 pKi 4970 nM Ki Bioorg Med Chem Lett (2010) 20: 5050-5053 [PMID:20674354]
carbonic anhydrase 5A/Carbonic anhydrase 5A, mitochondrial in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4789] [GtoPdb: 3093] [UniProtKB: P35218]
ChEMBL Inhibition of human carbonic anhydrase 5a after 15 mins by stopped flow CO2 hydration method B 4.99 pKi 10250 nM Ki Bioorg Med Chem Lett (2010) 20: 5050-5053 [PMID:20674354]
Carbonic anhydrase 5B, mitochondrial in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3969] [UniProtKB: Q9Y2D0]
ChEMBL Inhibition of human carbonic anhydrase 5b after 15 mins by stopped flow CO2 hydration method B 5.02 pKi 9460 nM Ki Bioorg Med Chem Lett (2010) 20: 5050-5053 [PMID:20674354]
Carbonic anhydrase 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3025] [UniProtKB: P23280]
ChEMBL Inhibition of human carbonic anhydrase 6 after 15 mins by stopped flow CO2 hydration method B 5 pKi 9940 nM Ki Bioorg Med Chem Lett (2010) 20: 5050-5053 [PMID:20674354]
carbonic anhydrase 7/Carbonic anhydrase 7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2326] [GtoPdb: 2749] [UniProtKB: P43166]
ChEMBL Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow CO2 hydration method B 5.03 pKi 9300 nM Ki Bioorg Med Chem Lett (2010) 20: 5050-5053 [PMID:20674354]
carbonic anhydrase 9/Carbonic anhydrase 9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3594] [GtoPdb: 3055] [UniProtKB: Q16790]
ChEMBL Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration method B 5.39 pKi 4050 nM Ki Bioorg Med Chem Lett (2010) 20: 5050-5053 [PMID:20674354]
casein kinase 1 epsilon/Casein kinase I isoform epsilon in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4937] [GtoPdb: 1998] [UniProtKB: P49674]
ChEMBL Inhibition of recombinant human CK1epsilon expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis B 5 pIC50 >10000 nM IC50 J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
CDGSH iron-sulfur domain-containing protein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1795168] [UniProtKB: Q9NZ45]
ChEMBL Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichia coli BL21 by Cheng-Prusoff analysis B 7 pKi 101 nM Ki Bioorg Med Chem Lett (2016) 26: 5350-5353 [PMID:27687671]
ChEMBL Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichia coli BL21 by scintillation proximity assay B 5.63 pIC50 2360 nM IC50 Bioorg Med Chem Lett (2016) 26: 5350-5353 [PMID:27687671]
Cell division protein FtsZ in Bacillus subtilis (strain 168) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5690] [UniProtKB: P17865]
ChEMBL Inhibition of Bacillus subtilis FtsZ polymerization B 4.52 pIC50 30000 nM IC50 Eur J Med Chem (2010) 45: 4209-4214 [PMID:20615583]
butyrylcholinesterase/Cholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1914] [GtoPdb: 2471] [UniProtKB: P06276]
ChEMBL Inhibition of human serum BuChE using butylthiocholine chloride as substrate pretreated for 15 mins followed by substrate addition measured for 2 mins by DTNB reagent based spectrophotometric method B 5.3 pIC50 >5000 nM IC50 Eur J Med Chem (2017) 130: 139-153 [PMID:28242549]
MMP13/Collagenase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL280] [GtoPdb: 1637] [UniProtKB: P45452]
ChEMBL Inhibition of human recombinant MMP13 expressed in Escherichia coli B 4.99 pIC50 10300 nM IC50 Bioorg Med Chem (2009) 17: 990-1005 [PMID:18358729]
CREB binding lysine acetyltransferase/CREB-binding protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5747] [GtoPdb: 2734] [UniProtKB: Q92793]
ChEMBL Inhibition of recombinant CBP (unknown origin) expressed in baculovirus expression system using histone substrate after 10 mins by liquid scintillation counting method in presence of [3H]acetyl-CoA B 4.6 pIC50 25000 nM IC50 J Med Chem (2016) 59: 1249-1270 [PMID:26701186]
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 recombinant human CDK5/p25 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis B 5 pIC50 >10000 nM IC50 J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
D-amino-acid oxidase in Pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6172] [UniProtKB: P00371]
ChEMBL Inhibition of porcine kidney DAAO using D-serine as substrate assessed as H2O2 formation by amplex red and peroxidase-coupled continuous fluorescence spectrophotometric analysis B 5.97 pIC50 1070 nM IC50 Bioorg Med Chem Lett (2022) 77: 129038-129038 [PMID:36307034]
ChEMBL Inhibition of porcine kidney DAAO using D-serine as substrate by Amplex red and horseradish peroxidase fluorescence assay B 5.97 pIC50 1070 nM IC50 Bioorg Med Chem (2022) 73: 117030-117030 [PMID:36179486]
DNA methyltransferase 1/DNA (cytosine-5)-methyltransferase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1993] [GtoPdb: 2605] [UniProtKB: P26358]
ChEMBL Inhibition of DNMT1 (unknown origin) B 6 pIC50 <=1000 nM IC50 Eur J Med Chem (2024) 270: 116333-116333 [PMID:38569434]
DNA topoisomerase II alpha/DNA topoisomerase 2-alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1806] [GtoPdb: 2637] [UniProtKB: P11388]
ChEMBL Inhibition of Homo sapiens (human) topoisomerase 2 assessed as decatenation of KDNA by agarose gel electrophoresis B 4.82 pIC50 15000 nM IC50 Med Chem Res (2012) 21: 874-890
CDC like kinase 1/Dual specificity protein kinase CLK1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4224] [GtoPdb: 1990] [UniProtKB: P49759]
ChEMBL Binding affinity to human CLK1 assessed as equilibrium dissociation constant measured upto 240 min by TR-FRET assay B 6 pKd >1000 nM Kd J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
ChEMBL Inhibition of recombinant human CLK1 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis B 5 pIC50 >10000 nM IC50 J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
ChEMBL Inhibition of recombinant human CLK1 expressed in Sf9 insect cells using myelin basic protein as substrate incubated for 110 mins in presence of ATP by non-radioactive ADP-Glo luminescence microplate reader assay B 5.31 pIC50 4921 nM IC50 J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
CDC like kinase 2/Dual specificity protein kinase CLK2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4225] [GtoPdb: 1991] [UniProtKB: P49760]
ChEMBL Inhibition of recombinant human CLK2 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis B 5 pIC50 >10000 nM IC50 J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
CDC like kinase 3/Dual specificity protein kinase CLK3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4226] [GtoPdb: 1992] [UniProtKB: P49761]
ChEMBL Inhibition of recombinant human CLK3 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis B 5 pIC50 >10000 nM IC50 J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
CDC like kinase 4/Dual specificity protein kinase CLK4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4203] [GtoPdb: 1993] [UniProtKB: Q9HAZ1]
ChEMBL Inhibition of recombinant human CLK4 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis B 5.01 pIC50 9749 nM IC50 J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
dual specificity tyrosine phosphorylation regulated kinase 1A/Dual specificity tyrosine-phosphorylation-regulated kinase 1A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2292] [GtoPdb: 2009] [UniProtKB: Q13627]
ChEMBL Binding affinity to human DYRK1A assessed as equilibrium dissociation constant measured upto 240 min by TR-FRET assay B 6 pKd >1000 nM Kd J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
ChEMBL Inhibition of recombinant human DYRK1A expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis B 5 pIC50 >10000 nM IC50 J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
ChEMBL Inhibition of recombinant human DYRK1A expressed in Escherichia coli using DYRKtide peptide as substrate incubated for 110 mins in presence of ATP by non-radioactive ADP-Glo luminescence microplate reader assay B 6.52 pIC50 300 nM IC50 J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
dual specificity tyrosine phosphorylation regulated kinase 1B/Dual specificity tyrosine-phosphorylation-regulated kinase 1B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5543] [GtoPdb: 2010] [UniProtKB: Q9Y463]
ChEMBL Inhibition of recombinant human DYRK1B expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis B 5 pIC50 >10000 nM IC50 J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
ChEMBL Inhibition of recombinant human DYRK1B expressed in Sf9 insect cells using DYRKtide peptide as substrate incubated for 110 mins in presence of ATP by non-radioactive ADP-Glo luminescence microplate reader assay B 6.83 pIC50 147.7 nM IC50 J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
dual specificity tyrosine phosphorylation regulated kinase 2/Dual specificity tyrosine-phosphorylation-regulated kinase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4376] [GtoPdb: 2011] [UniProtKB: Q92630]
ChEMBL Binding affinity to DYRK2 (unknown origin) assessed as dissociation constant by SPR analysis B 4.84 pKd 14500 nM Kd ACS Med Chem Lett (2024) 15: 659-666 [PMID:38746900]
ChEMBL Inhibition of recombinant human DYRK2 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis B 5.98 pIC50 1058 nM IC50 J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
ChEMBL Inhibition of human recombinant DYRK2 using KKISGRLSPIMTEQ as substrate incubated for 60 mins in the presence of ATP by ADP-Glo kinase assay B 8 pIC50 10 nM IC50 ACS Med Chem Lett (2024) 15: 659-666 [PMID:38746900]
ChEMBL Inhibition of N-terminal 6his tagged/ TEV fused full length human DYRK2 expressed in Escherichia coli BL21 (DE3) cells using KKISGRLSPIMTEQ as substrate incubated for 30 mins in presence of ATP B 8.3 pIC50 5 nM IC50 J Med Chem (2023) 66: 16235-16256 [PMID:38033250]
ChEMBL Inhibition of human GST-tagged DYRK2 expressed in Escherichia coli BL21 (DE3) using woodtide as substrate in presence of [gamma33-P]ATP incubated for 30 mins by Scintillation counter analysis B 8.6 pIC50 2.5 nM IC50 J Med Chem (2023) 66: 4215-4230 [PMID:36800260]
dual specificity tyrosine phosphorylation regulated kinase 3/Dual specificity tyrosine-phosphorylation-regulated kinase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4575] [GtoPdb: 2012] [UniProtKB: O43781]
ChEMBL Inhibition of recombinant human DYRK3 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis B 5.37 pIC50 4264 nM IC50 J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
dual specificity tyrosine phosphorylation regulated kinase 4/Dual specificity tyrosine-phosphorylation-regulated kinase 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075115] [GtoPdb: 2013] [UniProtKB: Q9NR20]
ChEMBL Inhibition of recombinant human DYRK4 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis B 5 pIC50 >10000 nM IC50 J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI in Escherichia coli (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1857] [UniProtKB: P0AEK4]
ChEMBL Inhibition of Escherichia coli MG1655 enoyl-ACP reductase overexpressed in Escherichia coli M15 assessed as oxidation of NADH to NAD+ after 5 mins B 4.83 pKi 14960 nM Ki Bioorg Med Chem Lett (2010) 20: 56-59 [PMID:19959361]
epidermal growth factor receptor/Epidermal growth factor receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL203] [GtoPdb: 1797] [UniProtKB: P00533]
ChEMBL Time-Resolved Fluorescence Assay: The kinase activity of EGFR was detected according to time-resolved fluorescence detection technology to evaluate automatic phosphorylation levels. The test compound was dissolved in 100% DMSO, diluted with 25 mM HEPES (pH=7.4) to the desired concentration, added into each well with 10 μL of the test compounds and 10 μL solution containing 5 ng EGFR, then cultured for 10 min at room temperature using the recombinase diluted by 100 mM HEPES with a dilution ratio of 1:80, subsequently added with 10 μL solution containing 20 mM HEPES, 2 mM MnCl2, 100 μM Na3VO4, 1 mM DTT buffer, and 20 μL of 0.1 mM ATP and 50 mM MgCl2 and cultured for 1 h. The positive group in each plate was added with ATP-MgCl2 enzyme, the negative control group without adding with ATP-MgCl2 enzyme, the liquid was sucked out completely after cultured for 1 h, and each well was washed with buffer for three times. The wells were added with 75 μL anti-phosphorylated tyrosine antibody containing 400 ng europium labeling and cultured 1 h, washed, then added with enhancing solution. At the excitation wavelength 340 nm and the emission wavelength 615 nm, the fluorescence intensities were detected by using Victor type 2 time-resolved luminoscope, wherein the inhibitory rate of the compound on automatic phosphorylation: the inhibitory rate of autophosphorylation=100%−[(negative control)/(positive control−negative control)]. B 5.06 pIC50 8650 nM IC50 US-9409845-B2. Alpha-(3,5-dimethoxybenzylidene)-alpha′-hydrocarbyl methylene cyclic ketone and preparation method thereof (2016)
ChEMBL Inhibition of EGFR cytoplasmic domain (amino acids 645 to 1186) (unknown origin) expressed in Sf9 cells assessed as reduction in enzyme autophosphorylation by DELFIA time resolved fluorometry B 5.07 pIC50 8600 nM IC50 Bioorg Med Chem (2013) 21: 388-394 [PMID:23245570]
Glutathione-S-transferase in Schistosoma japonicum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105850] [UniProtKB: Q26513]
ChEMBL Inhibition of Schistosoma japonicum GST by spectrophotometric analysis B 4.7 pIC50 >20000 nM IC50 J Med Chem (2023) 66: 11118-11132 [PMID:37552553]
Glutathione S-transferase Mu 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4589] [UniProtKB: P28161]
ChEMBL Inhibition of human GSTM2 by spectrophotometric analysis B 5.74 pIC50 1810 nM IC50 J Med Chem (2023) 66: 11118-11132 [PMID:37552553]
glycogen synthase kinase 3 beta/Glycogen synthase kinase-3 beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL262] [GtoPdb: 2030] [UniProtKB: P49841]
ChEMBL Binding affinity to human GSK-3beta assessed as equilibrium dissociation constant measured upto 240 min by TR-FRET assay B 5 pKd >10000 nM Kd J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
ChEMBL Inhibition of human recombinant GSK3-beta using prephosphorylated polypeptide as substrate incubated for 30 mins by Glo-type luminescence assay B 4.75 pIC50 17950 nM IC50 J Med Chem (2016) 59: 531-544 [PMID:26696252]
ChEMBL Inhibition of recombinant human GSK-3beta expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis B 5 pIC50 >10000 nM IC50 J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
glycogen synthase kinase 3 beta/Glycogen synthase kinase-3 beta in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3669] [GtoPdb: 2030] [UniProtKB: P18266]
ChEMBL Inhibition of recombinant rat N-terminal GST-tagged GSK3beta expressed in Escherichia coli assessed as reduction in tau phosphorylation preincubated for 30 mins followed by tau protein addition measured after 1 hr by ELISA B 7.18 pIC50 66 nM IC50 J Med Chem (2017) 60: 1620-1637 [PMID:28074653]
GroEL/GroES in Escherichia coli (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106139] [UniProtKB: Q548M1, Q7BGE6]
ChEMBL Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured soluble pig heart MDH refolding by measuring MDH enzyme activity using sodium mesoxalate as substrate after 20 to 40 mins by malachite green dye based spectrometric analysis B 5.51 pIC50 3100 nM IC50 Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084]
ChEMBL Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured rhodanese refolding by measuring rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric analysis B 5.54 pIC50 2900 nM IC50 Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084]
Sodium/bile acid and sulphated solute cotransporter 1/Hepatic sodium/bile acid cotransporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5287] [GtoPdb: 959] [UniProtKB: Q14973]
ChEMBL Binding affinity to human NTCP assessed as dissociation constant by isothermal titration calorimetry B 4.19 pKd 64300 nM Kd J Med Chem (2022) 65: 12546-12561 [PMID:36111355]
EP300 lysine acetyltransferase/Histone acetyltransferase p300 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3784] [GtoPdb: 2735] [UniProtKB: Q09472]
ChEMBL Inhibition of recombinant p300 B 4.4 pIC50 >40000 nM IC50 Bioorg Med Chem (2009) 17: 1381-1386 [PMID:19114310]
ChEMBL Inhibition of p300 HAT domain (unknown origin) using Biotin-C6-GRGKGGKGLGKGGAK as substrate pretreated with enzyme for 30 mins followed by incubation with substrate for 1 hr by radiometric scintillation proximity assay B 4.52 pIC50 30000 nM IC50 Nature (2017) 550: 128-132 [PMID:28953875]
GtoPdb - - 4.6 pIC50 25000 nM IC50 J Biol Chem (2004) 279: 51163-71 [PMID:15383533]
ChEMBL Inhibition of recombinant p300 (unknown origin) expressed in baculovirus expression system using histone substrate after 10 mins by liquid scintillation counting method in presence of [3H]acetyl-CoA B 4.6 pIC50 25000 nM IC50 J Med Chem (2016) 59: 1249-1270 [PMID:26701186]
ChEMBL Inhibition of recombinant human full-length His6-tagged p300 expressed in baculovirus infected Sf21 insect cells using [3H]acetylCoA as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by liquid scintillation counting method B 4.6 pIC50 25000 nM IC50 J Med Chem (2020) 63: 1337-1360 [PMID:31910017]
ChEMBL Inhibition of P300 (unknown origin) using histone H3/[acetyl-3H]-acetyl coenzyme A as substrate B 5.19 pIC50 6500 nM IC50 J Med Chem (2015) 58: 2779-2798 [PMID:25730130]
ChEMBL Inhibition of recombinant human p300 catalytic domain (1284 to 1673 residues) using histone H3 peptide substrate after 1 hr by liquid scintillation counting method in presence of [3H]acetyl-CoA B 5.19 pIC50 6500 nM IC50 J Med Chem (2016) 59: 1249-1270 [PMID:26701186]
histone acetyltransferase 1/Histone acetyltransferase type B catalytic subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523128] [GtoPdb: 2657] [UniProtKB: O14929]
ChEMBL Inhibition of HAT1 (unknown origin) B 6 pIC50 <=1000 nM IC50 Eur J Med Chem (2024) 270: 116333-116333 [PMID:38569434]
histone deacetylase 1/Histone deacetylase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL325] [GtoPdb: 2658] [UniProtKB: Q13547]
ChEMBL Inhibition of HDAC1 (unknown origin) B 4.29 pKi 50790 nM Ki Bioorg Med Chem Lett (2020) 30: 127171-127171 [PMID:32273215]
ChEMBL Inhibition of human HDAC1 B 4.62 pIC50 23810 nM IC50 Eur J Med Chem (2023) 258: 115613-115613 [PMID:37399711]
histone deacetylase 2/Histone deacetylase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1937] [GtoPdb: 2616] [UniProtKB: Q92769]
ChEMBL Inhibition of HDAC2 (unknown origin) B 4.01 pKi 97670 nM Ki Bioorg Med Chem Lett (2020) 30: 127171-127171 [PMID:32273215]
histone deacetylase 8/Histone deacetylase 8 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3192] [GtoPdb: 2619] [UniProtKB: Q9BY41]
ChEMBL Inhibition of HDAC8 (unknown origin) B 4.19 pKi 64980 nM Ki Bioorg Med Chem Lett (2020) 30: 127171-127171 [PMID:32273215]
HSP60/HSP10 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106131] [UniProtKB: P10809, P61604]
ChEMBL Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Rosetta(DE3) assessed as reduction in HSP60/HSP10-mediated denatured MDH refolding by measuring MDH enzyme activity using sodium mesoxalate as substrate after 40 to 60 mins by malachite green dye based spectrometric analysis B 5.08 pIC50 8300 nM IC50 Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084]
Human immunodeficiency virus type 1 integrase in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3471] [UniProtKB: Q7ZJM1]
ChEMBL Inhibitory activity against HIV-1 integrase B 4.24 pIC50 57500 nM IC50 Bioorg Med Chem Lett (2000) 10: 1879-1882 [PMID:10969990]
ChEMBL Inhibition of HIV1 integrase strand transfer activity B 4.4 pIC50 40000 nM IC50 J Nat Prod (2009) 72: 2019-2023 [PMID:19813754]
ChEMBL Inhibition of HIV-1 integrase B 4.4 pIC50 40000 nM IC50 J Nat Prod (2013) 76: 1105-1112 [PMID:23742639]
ChEMBL Inhibitory activity against HIV-1 Integrase (HIV-1-IN) B 4.52 pIC50 30199.52 nM IC50 J Med Chem (2002) 45: 841-852 [PMID:11831895]
ChEMBL Compound concentration required to reduce HIV-1 Integrase 3'-processing activity by 50% B 4.52 pIC50 30000 nM IC50 J Med Chem (1998) 41: 3948-3960 [PMID:9767632]
ChEMBL Inhibition of HIV1 integrase 3' processing activity B 4.52 pIC50 30000 nM IC50 J Nat Prod (2009) 72: 2019-2023 [PMID:19813754]
Lactoylglutathione lyase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2424] [UniProtKB: Q04760]
ChEMBL Inhibition of human glyoxalase 1 B 4.99 pKi 10300 nM Ki Bioorg Med Chem Lett (2011) 21: 4243-4247 [PMID:21689932]
ChEMBL Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis B 5 pKi 10000 nM Ki Bioorg Med Chem (2011) 19: 1189-1196 [PMID:21237663]
ChEMBL Inhibition of human erythrocyte Glyoxalase-1 using GSH and MGO as substrate by Dixon plot analysis B 8.3 pKi 5 nM Ki Bioorg Med Chem (2020) 28: 115243-115243 [PMID:31879183]
Lipoxygenase in Glycine max (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1641359] [UniProtKB: Q39829]
ChEMBL Inhibition of soybean lipoxygenase after 5 mins by colorimetric assay B 4.23 pIC50 59520 nM IC50 Bioorg Med Chem (2014) 22: 4151-4161 [PMID:24938495]
lysine demethylase 1A/Lysine-specific histone demethylase 1A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6136] [GtoPdb: 2669] [UniProtKB: O60341]
ChEMBL Inhibition of human recombinant LSD1 using fluorogenic ADHP as substrate preincubated for 30 mins followed by substrate addition measured after 10 mins by fluorescence assay B 5.02 pIC50 9600 nM IC50 Bioorg Med Chem Lett (2019) 29: 126683-126683 [PMID:31627991]
MMP9/Matrix metalloproteinase-9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL321] [GtoPdb: 1633] [UniProtKB: P14780]
ChEMBL Reduction of MMP9 activity in TNF-alpha/IL1-beta-stimulated human Caco-2 cells treated 1 hr before stimulation by zymography B 5.07 pIC50 8500 nM IC50 Bioorg Med Chem (2009) 17: 1290-1296 [PMID:19128977]
Microtubule-associated protein tau in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293224] [UniProtKB: P10636]
ChEMBL Inhibition of tau (unknown origin) fibril formation by fluorescence assay B 4.89 pIC50 13000 nM IC50 J Med Chem (2017) 60: 1620-1637 [PMID:28074653]
ChEMBL Inhibition of tau (unknown origin) fibril formation by thioflavin-T fluorescence based assay B 5.46 pIC50 3500 nM IC50 J Med Chem (2017) 60: 1620-1637 [PMID:28074653]
ChEMBL Inhibition of recombinant human TAU three-repeat microtubule-binding domain aggregation expressed in Escherichia coli after 16 hrs by thioflavin T fluorescence assay B 5.52 pIC50 3000 nM IC50 Bioorg Med Chem Lett (2016) 26: 5024-5028 [PMID:27624076]
ChEMBL Inhibition of tau phosphorylation (unknown origin) B 5.52 pIC50 3000 nM IC50 RSC Med Chem (2023) 14: 2535-2563 [PMID:38107170]
Multidrug resistance protein CDR1 in Candida albicans (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1163109] [UniProtKB: P43071]
ChEMBL Inhibition of GFP-tagged Candida albicans CDR1 expressed in Saccharomyces cerevisiae assessed as inhibition of R6G efflux B 4.4 pIC50 40000 nM IC50 Antimicrob Agents Chemother (2009) 53: 3256-3265 [PMID:19470507]
ChEMBL Displacement of [125I]IAAP from GFP-tagged Candida albicans CDR1 expressed in Saccharomyces cerevisiae B 4.85 pIC50 14200 nM IC50 Antimicrob Agents Chemother (2009) 53: 3256-3265 [PMID:19470507]
NLRP3/NACHT, LRR and PYD domains-containing protein 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1741208] [GtoPdb: 1770] [UniProtKB: Q96P20]
ChEMBL Inhibition of NLRP3 inflammasome activation in LPS-primed human PMA-differentiated THP-1 cells assessed as reduction in nigericin-induced IL-1beta level preincubated for 30 mins followed by nigericin addition and measured after 1 hrs by Western blot analysis B 4.62 pIC50 24200 nM IC50 J Nat Prod (2020) 83: 2950-2959 [PMID:32989985]
Neuraminidase in Influenza A virus (strain A/USSR/90/1977 H1N1) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3559643] [UniProtKB: P03469]
ChEMBL Inhibition of recombinant Influenza A virus H1N1 neuraminidase using 4-methylumbelliferyl-alpha-D-Nacetylneuraminic acid sodium salt hydrate as substrate by fluorometry B 5 pIC50 10000 nM IC50 Bioorg Med Chem (2014) 22: 6047-6052 [PMID:25277281]
ChEMBL Inhibition of Influenza A virus H5N1 neuraminidase using 4-methylumbelliferyl-alpha-D-Nacetylneuraminic acid sodium salt hydrate as substrate by fluorometry B 5.09 pIC50 8100 nM IC50 Bioorg Med Chem (2014) 22: 6047-6052 [PMID:25277281]
Inducible NOS/Nitric oxide synthase, inducible in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4481] [GtoPdb: 1250] [UniProtKB: P35228]
ChEMBL Inhibition of nitric oxide synthase in activated macrophages in human A431 cells B 5.22 pIC50 6000 nM IC50 Proc Natl Acad Sci U S A (2007) 104: 20523-20528 [PMID:18077363]
Inducible NOS/Nitric oxide synthase, inducible in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3464] [GtoPdb: 1250] [UniProtKB: P29477]
ChEMBL Inhibition of iNOS induction in mouse RAW264.7 cells assessed as NO production B 6.1 pIC50 800 nM IC50 J Med Chem (2014) 57: 6513-6530 [PMID:25058929]
nuclear factor, erythroid 2 like 2/Nuclear factor erythroid 2-related factor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075094] [GtoPdb: 3057] [UniProtKB: Q16236]
ChEMBL Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay B 4.68 pEC50 21000 nM EC50 Eur J Med Chem (2018) 143: 854-865 [PMID:29223100]
ChEMBL Activation of Nrf2 transcriptional activity in human LNCaP cells after 6 hrs by luciferase reporter gene assay relative to tert-butylhydroquinone B 5 pEC50 9900 nM EC50 J Med Chem (2014) 57: 5638-5648 [PMID:24920381]
nuclear factor kappa B subunit 1/nuclear factor kappa B subunit 2/RELA proto-oncogene, NF-kB subunit/Nuclear factor NF-kappa-B complex in Human (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL2094258] [GtoPdb: 3281, 3282, 3280] [UniProtKB: P19838, Q00653, Q04206]
ChEMBL Inhibition of TNFalpha-induced NF-kappaB transcriptional activity in human 5.1 cells after 6 hrs B 4.68 pIC50 20900 nM IC50 J Med Chem (2014) 57: 5638-5648 [PMID:24920381]
ChEMBL Inhibition of NF-kappaB transactivation in TNF-alpha-stimulated human K562 cells preincubated for 2 hrs followed by TNF-alpha challenge measured after 6 hrs by dual luciferase reporter gene assay B 5.1 pIC50 8000 nM IC50 Bioorg Med Chem (2014) 22: 3008-3015 [PMID:24775915]
ChEMBL Inhibition of NF-kappaB (unknown origin) B 6 pIC50 <=1000 nM IC50 Eur J Med Chem (2024) 270: 116333-116333 [PMID:38569434]
nuclear factor kappa B subunit 1/Nuclear factor NF-kappa-B p105 subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3251] [GtoPdb: 3281] [UniProtKB: P19838]
ChEMBL Cellular Firefly Luciferase Assay (NFkB): The NF-kB activities of curcumin and analogs were determined by a cellular firefly luciferase assay. This assay utilized a commercially available cell line (Panomics 293T-luc cellular assay) developed for screening inhibitors of NF-kB. This cell line is stably transfected with a luciferase reporter controlled by an NF-kB dependent promoter. The cell is stimulated with tumor necrosis factor alpha (TNFalpha) which activates NF-kB. NF-kB then binds to one of six promoter regions on the cell's DNA leading to the production of a luciferase enzyme. Luciferin is added to the cell lysates and the luciferase enzyme catalyzes a cleavage of luciferin leading to the emission of light. B 5.09 pIC50 8200 nM IC50 US-9187397-B2. Therapeutic curcumin derivatives (2015)
Orphan methyltransferase M.SssI in Spiroplasma monobiae (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4373] [UniProtKB: P15840]
ChEMBL Inhibition of Spiroplasma sp. MQ-1 M.SssI B 7.52 pIC50 30 nM IC50 Bioorg Med Chem Lett (2009) 19: 706-709 [PMID:19112019]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL Antimalarial activity against chloroquine-resistant Plasmodium falciparum 7G8 F 4.53 pIC50 29610 nM IC50 Antimicrob Agents Chemother (2007) 51: 488-494 [PMID:17145789]
ChEMBL Antimalarial activity against chloroquine-resistant Plasmodium falciparum Dd2 F 4.56 pIC50 27450 nM IC50 Antimicrob Agents Chemother (2007) 51: 488-494 [PMID:17145789]
ChEMBL Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 after 24 hrs by [3H]hypoxanthine labeling method F 4.6 pIC50 25000 nM IC50 Medchemcomm (2016) 7: 214-223
ChEMBL Antimalarial activity against chloroquine-susceptible Plasmodium falciparum D10 F 4.61 pIC50 24690 nM IC50 Antimicrob Agents Chemother (2007) 51: 488-494 [PMID:17145789]
ChEMBL Antimalarial activity against chloroquine-susceptible Plasmodium falciparum D10 F 4.64 pIC50 22930 nM IC50 Antimicrob Agents Chemother (2007) 51: 488-494 [PMID:17145789]
ChEMBL Antimalarial activity against chloroquine-resistant Plasmodium falciparum FCK by [3H]hypoxanthine uptake F 4.82 pIC50 15000 nM IC50 Bioorg Med Chem Lett (2009) 19: 2453-2455 [PMID:19329310]
ChEMBL Antimalarial activity against chloroquine-resistant Plasmodium falciparum MP14 F 5.38 pIC50 4210 nM IC50 Bioorg Med Chem (2008) 16: 2894-2902 [PMID:18194869]
ChEMBL Antimalarial activity against chloroquine-sensitive Plasmodium falciparum FCK2 F 5.49 pIC50 3250 nM IC50 Bioorg Med Chem (2008) 16: 2894-2902 [PMID:18194869]
5-LOX/Polyunsaturated fatty acid 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 4.52 pIC50 30000 nM IC50 Bioorg Med Chem (2019) 27: 3745-3759 [PMID:31331653]
ChEMBL Inhibition of 5LOX B 5.1 pIC50 8000 nM IC50 Proc Natl Acad Sci U S A (2007) 104: 20523-20528 [PMID:18077363]
ChEMBL Inhibition of 5-LO in human neutrophils using arachidonic acid as substrate preincubated for 15 mins measured after 10 mins by HPLC analysis B 5.41 pIC50 3900 nM IC50 J Med Chem (2014) 57: 5638-5648 [PMID:24920381]
ChEMBL Inhibition of 5-LO-mediated 5-HETE formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition measured after 30 mins by UPLC-MS/MS analysis B 6.22 pIC50 600 nM IC50 J Med Chem (2014) 57: 5638-5648 [PMID:24920381]
ChEMBL Inhibition of 5-LO-mediated 5,12-DiHETE formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition measured after 30 mins by UPLC-MS/MS analysis B 6.22 pIC50 600 nM IC50 J Med Chem (2014) 57: 5638-5648 [PMID:24920381]
ChEMBL Inhibition of 5-LO-mediated LTB4 formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition measured after 30 mins by UPLC-MS/MS analysis B 6.22 pIC50 600 nM IC50 J Med Chem (2014) 57: 5638-5648 [PMID:24920381]
ChEMBL Inhibition of human recombinant 5-LO expressed in Escherichia coli Bl21 (DE3) using arachidonic acid as substrate preincubated for 10 mins measured after 10 mins by RP-HPLC analysis B 6.3 pIC50 500 nM IC50 J Med Chem (2014) 57: 5638-5648 [PMID:24920381]
15-LOX-1/Polyunsaturated fatty acid lipoxygenase ALOX15 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2903] [GtoPdb: 1388] [UniProtKB: P16050]
ChEMBL Inhibition of 15-LO-mediated 15-HETE formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition measured after 30 mins by UPLC-MS/MS analysis B 5.92 pIC50 1200 nM IC50 J Med Chem (2014) 57: 5638-5648 [PMID:24920381]
Potassium channel subfamily K member 2 in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075183] [UniProtKB: Q8HY88]
ChEMBL Inhibition of TREK-1 K(+) channel in bovine AZF cells B 6.03 pIC50 930 nM IC50 J Nat Prod (2009) 72: 1533-1537 [PMID:19653644]
mPGES1/Prostaglandin E synthase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5658] [GtoPdb: 1377] [UniProtKB: O14684]
ChEMBL Inhibition of mPGES1-mediated PGE2 formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition measured after 30 mins by UPLC-MS/MS analysis B 5.92 pIC50 1200 nM IC50 J Med Chem (2014) 57: 5638-5648 [PMID:24920381]
ChEMBL Inhibition of mPGES1-mediated PGE2 production in microsomes of IL-1beta stimulated human A549 cells preincubated for 15 mins by RP-HPLC analysis B 6.22 pIC50 600 nM IC50 J Med Chem (2014) 57: 5638-5648 [PMID:24920381]
ChEMBL Inhibition of mPGES1 in human A549 cell microsomal membrane using pGH2 as substrate pretreated for 15 mins followed by substrate addition and measured after 1 min by RP-HPLC method B 6.52 pIC50 300 nM IC50 Eur J Med Chem (2018) 153: 2-28 [PMID:29329790]
ChEMBL Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 preincubated for 15 mins by HPLC analysis B 6.66 pIC50 220 nM IC50 J Nat Prod (2015) 78: 2867-2879 [PMID:26588603]
ChEMBL Inhibition of microsomal PGES1 in ILbeta-stimulated human A549 cells using PGH2 as substrate preincubated for 15 mins followed by substrate addition measured after 1 min by RP-HPLC analysis B 6.7 pIC50 200 nM IC50 Medchemcomm (2015) 6: 2081-2123
COX-1 /Prostaglandin G/H synthase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL221] [GtoPdb: 1375] [UniProtKB: P23219]
ChEMBL Inhibition of cyclooxygenase B 4.28 pIC50 52000 nM IC50 Proc Natl Acad Sci U S A (2007) 104: 20523-20528 [PMID:18077363]
ChEMBL Inhibition of COX1 B 4.45 pIC50 35090 nM IC50 Bioorg Med Chem Lett (2011) 21: 1612-1616 [PMID:21345672]
ChEMBL Inhibition of COX1 B 5.06 pIC50 8800 nM IC50 J Nat Prod (2005) 68: 985-991 [PMID:16038536]
ChEMBL Inhibition of COX1-mediated PGE2 production in human platelets assessed as formation of 12-HHT using arachidonic acid as substrate preincubated for 5 mins measured after 5 mins by RP-HPLC analysis B 5.09 pIC50 8100 nM IC50 J Med Chem (2014) 57: 5638-5648 [PMID:24920381]
ChEMBL Inhibition of COX-1 (unknown origin) B 6 pIC50 <=1000 nM IC50 Eur J Med Chem (2024) 270: 116333-116333 [PMID:38569434]
Prostaglandin G/H synthase 1 in Sheep (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2949] [UniProtKB: P05979]
ChEMBL Inhibition of ovine COX1 using arachidonic acid substrate assessed as PGE2 production ELISA method after 2 mins B 4.53 pIC50 29650 nM IC50 Bioorg Med Chem (2014) 22: 4151-4161 [PMID:24938495]
COX-2 /Prostaglandin G/H synthase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL230] [GtoPdb: 1376] [UniProtKB: P35354]
ChEMBL Inhibition of human recombinant COX2 using arachidonic acid substrate assessed as PGE2 production ELISA method after 2 mins B 4 pIC50 >100000 nM IC50 Bioorg Med Chem (2014) 22: 4151-4161 [PMID:24938495]
ChEMBL Inhibition of COX2 B 4.1 pIC50 79200 nM IC50 Bioorg Med Chem Lett (2011) 21: 1612-1616 [PMID:21345672]
ChEMBL Anti-oxidant activity in DPPH radicak scavenging assay; n=3-4 F 4.96 pIC50 11060 nM IC50 Bioorg Med Chem Lett (2005) 15: 1793-1797 [PMID:15780608]
ChEMBL Inhibition of COX-2 (unknown origin) B 6 pIC50 <=1000 nM IC50 Eur J Med Chem (2024) 270: 116333-116333 [PMID:38569434]
Protease in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2366517] [UniProtKB: Q9YQ12]
ChEMBL Inhibition of HIV1 protease B 4 pIC50 100000 nM IC50 J Nat Prod (2009) 72: 2019-2023 [PMID:19813754]
ChEMBL Inhibition of HIV-1 protease B 4 pIC50 100000 nM IC50 J Nat Prod (2013) 76: 1105-1112 [PMID:23742639]
proteasome 20S subunit beta 5/Proteasome Macropain subunit MB1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4662] [GtoPdb: 2406] [UniProtKB: P28074]
ChEMBL Inhibition of chymotrypsin-like activity of human 26S proteasome in human HCT-116 cells assessed as decrease in AMC hydrolysis using Suc-LLVY-AMC as substrate preincubated for 24 hrs followed by addition of substrate and measured after 2 hrs by fluorometric analysis B 5 pIC50 10000 nM IC50 Eur J Med Chem (2019) 167: 291-311 [PMID:30776692]
ChEMBL Inhibition of chymotrypsin-like activity of human 26S proteasome in human SW480 cells assessed as decrease in AMC hydrolysis using Suc-LLVY-AMC as substrate preincubated for 24 hrs followed by addition of substrate and measured after 2 hrs by fluorometric analysis B 5 pIC50 10000 nM IC50 Eur J Med Chem (2019) 167: 291-311 [PMID:30776692]
protein kinase C delta/Protein kinase C delta type in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2996] [GtoPdb: 1485] [UniProtKB: Q05655]
ChEMBL Binding affinity to GST-tagged PKCdelta expressed in Escherichia coli BL21(DE3) by fluorescence quenching B 4.97 pEC50 10670 nM EC50 Bioorg Med Chem (2010) 18: 1591-1598 [PMID:20100661]
protein kinase C epsilon/Protein kinase C epsilon type in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3582] [GtoPdb: 1486] [UniProtKB: Q02156]
ChEMBL Binding affinity to GST-tagged PKCepsilon expressed in Escherichia coli BL21(DE3) by fluorescence quenching B 5.06 pEC50 8810 nM EC50 Bioorg Med Chem (2010) 18: 1591-1598 [PMID:20100661]
protein kinase C theta/Protein kinase C theta type in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3920] [GtoPdb: 1488] [UniProtKB: Q04759]
ChEMBL Binding affinity to GST-tagged PKCtheta expressed in Escherichia coli BL21(DE3) by fluorescence quenching B 4.96 pEC50 11080 nM EC50 Bioorg Med Chem (2010) 18: 1591-1598 [PMID:20100661]
SRC proto-oncogene, non-receptor tyrosine kinase/Proto-oncogene tyrosine-protein kinase Src in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3074] [GtoPdb: 2206] [UniProtKB: P05480]
ChEMBL Inhibition of Src in mouse BV2 cells assessed as suppression of LPS-induced NO release preincubated for 1 hr followed by LPS addition measured after 24 hrs by Griess assay B 5.66 pIC50 2200 nM IC50 J Med Chem (2016) 59: 9062-9079 [PMID:27617803]
CoV 3C-like (main) protease/CoV Replicase polyprotein 1a/Replicase polyprotein 1a in Severe acute respiratory syndrome-related coronavirus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3927] [GtoPdb: 3111, 3124] [UniProtKB: P0C6U8]
ChEMBL Inhibition of SARS coronavirus 3CL protease B 4.4 pIC50 40000 nM IC50 J Med Chem (2007) 50: 4087-4095 [PMID:17663539]
CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/Replicase polyprotein 1ab in Severe acute respiratory syndrome-related coronavirus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5118] [GtoPdb: 3125, 3139, 3206] [UniProtKB: P0C6X7]
ChEMBL Inhibition of 3C-like protease of SARS coronavirus assessed as concentration of FRET peptide for 60 mins B 4.63 pIC50 23500 nM IC50 Bioorg Med Chem Lett (2010) 20: 1873-1876 [PMID:20167482]
Rhodesain in Trypanosoma brucei rhodesiense (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4188] [UniProtKB: Q95PM0]
ChEMBL Inhibition of Trypanosoma brucei rhodesain using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins by fluorometric assay B 5.11 pIC50 7750 nM IC50 ACS Med Chem Lett (2020) 11: 806-810 [PMID:32435388]
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 in Rabbit (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4693] [UniProtKB: P04191]
ChEMBL Inhibition of rabbit SERCA1b expressed in COS7 cells microsomal membranes preincubated for 10 mins followed by addition of ATP and measured after 40 mins by ELISA method B 5.24 pKi 5800 nM Ki J Med Chem (2020) 63: 1937-1963 [PMID:32030976]
ChEMBL Inhibition of rabbit skeletal muscle microsomes SERCA1a by enzyme-coupled method B 5.52 pIC50 3000 nM IC50 J Med Chem (2020) 63: 1937-1963 [PMID:32030976]
SERCA2/Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3901] [GtoPdb: 841] [UniProtKB: P16615]
ChEMBL Inhibition of human SERCA2b expressed in COS7 cells microsomal membranes preincubated for 10 mins followed by addition of ATP and measured after 40 mins by ELISA method B 4.28 pKi 53000 nM Ki J Med Chem (2020) 63: 1937-1963 [PMID:32030976]
ChEMBL Inhibition of SERCA2b in human platelet microsomes by enzyme-coupled method B 5.15 pIC50 7000 nM IC50 J Med Chem (2020) 63: 1937-1963 [PMID:32030976]
SERCA3/Sarcoplasmic/endoplasmic reticulum calcium ATPase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2401] [GtoPdb: 842] [UniProtKB: Q93084]
ChEMBL Inhibition of human SERCA3a expressed in COS7 cells microsomal membranes preincubated for 10 mins followed by addition of ATP and measured after 40 mins by ELISA method B 5.07 pKi 8600 nM Ki J Med Chem (2020) 63: 1937-1963 [PMID:32030976]
ChEMBL Inhibition of SERCA3 in human platelet microsomes by enzyme-coupled method B 5.15 pIC50 7000 nM IC50 J Med Chem (2020) 63: 1937-1963 [PMID:32030976]
p21 (RAC1) activated kinase 1/Serine/threonine-protein kinase PAK 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4600] [GtoPdb: 2133] [UniProtKB: Q13153]
ChEMBL Inhibition of recombinant human PAK1 by ADP-Glo kinase assay B 4.8 pIC50 16000 nM IC50 Eur J Med Chem (2017) 142: 229-243 [PMID:28814374]
signal transducer and activator of transcription 3/Signal transducer and activator of transcription 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4026] [GtoPdb: 2994] [UniProtKB: P40763]
ChEMBL Inhibition of STAT3 transcriptional activity in human HaCaT cells after 6 hrs by luciferase reporter gene assay B 4.47 pIC50 33900 nM IC50 J Med Chem (2014) 57: 5638-5648 [PMID:24920381]
ChEMBL Inhibition of STAT3 in IL-6-stimulated human HepG2 cells treated for 1 hr prior to IL-6 challenge measured after 5.5 hrs by luciferase reporter gene assay B 4.72 pIC50 19250 nM IC50 Eur J Med Chem (2013) 62: 301-310 [PMID:23376248]
ChEMBL Inhibition of IL-6-induced STAT3 pathway in human HepG2 cells by luciferase reporter gene assay B 4.72 pIC50 19250 nM IC50 Bioorg Med Chem Lett (2013) 23: 2225-2229 [PMID:23434226]
Sortase A in S.aureus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5362] [UniProtKB: Q9S446]
ChEMBL Inhibition of Staphylococcus aureus SrtA using EDANS-Dabcyl as substrate by FRET assay B 4.43 pIC50 37500 nM IC50 J Med Chem (2021) 64: 13097-13130 [PMID:34516107]
Sortase A in Streptococcus mutans (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523939] [UniProtKB: Q8CM62]
ChEMBL Binding affinity to Streptococcus mutans Sortase A B 4.99 pIC50 10200 nM IC50 Medchemcomm (2019) 10: 1057-1067 [PMID:31391878]
ChEMBL Inhibition of recombinant Staphylococcus mutans UA159 SrtA using Dabcyl-QALPETGEE-Edans as substrate incubated for 1 hr by fluorometric analysis B 4.99 pIC50 10200 nM IC50 J Med Chem (2021) 64: 13097-13130 [PMID:34516107]
coagulation factor III, tissue factor/Tissue factor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4081] [GtoPdb: 3192] [UniProtKB: P13726]
ChEMBL Inhibition of tissue factor in Homo sapiens (human) THP1-cells using factor 10a chromogenic substrate assessed as inhibition of LPS-iduced procoagulant activity incubated for 1 hr prior to LPS-challenge measured after 5 hr by spectrophotometric analysis B 6.7 pIC50 199.63 nM IC50 Med Chem Res (2013) 22: 3242-3246
ChEMBL Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs B 6.7 pIC50 199.63 nM IC50 Bioorg Med Chem (2013) 21: 62-69 [PMID:23199480]
ChEMBL Inhibition of LPS-induced tissue factor procoagulant activity in human THP1 cells preincubated for 1 hr followed by LPS addition measured after 5 hrs using factor 10a chromogenic substrate in presence of prothrombin complex B 7.88 pIC50 13.16 nM IC50 Bioorg Med Chem Lett (2017) 27: 1026-1030 [PMID:28109788]
TLR4/Toll-like receptor 4 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1795167] [GtoPdb: 1754] [UniProtKB: Q9QUK6]
ChEMBL Inhibition of TLR4 in LPS-stimulated mouse RAW264.7 cells assessed as reduction of NO production after 24 hrs B 5.22 pIC50 6000 nM IC50 Bioorg Med Chem (2012) 20: 6073-6079 [PMID:22985959]
Transcription factor AP1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2111421] [UniProtKB: P01100, P05412]
ChEMBL Inhibition of Fos-Jun dimer formation (unknown origin) B 8.16 pIC50 6.9 nM IC50 J Med Chem (2014) 57: 6930-6948 [PMID:24831826]
Transcription factor Jun in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4977] [UniProtKB: P05412]
ChEMBL Cellular Firefly Luciferase Assay (AP-1): Curcumin is a known inhibitor of the AP-1 activation cascade. Therefore, modification of the structure of curcumin could lead to analogs with enhanced activity. The library consisting of three series of curcumin analogs were used to examine the role of the enone functionality in aryl systems where the spacer is 7-carbons (as in curcumin), 5-carbons or 3-carbons in length. In addition, the importance of aryl ring substituents was assessed. The AP-1 activities of curcumin and analogs were determined by a cellular firefly luciferase assay. This assay utilized a commercially available cell line (Panomics 293-luc cellular assay) developed for screening inhibitors of AP-1. This cell line is stably transfected with a luciferase reporter controlled by an AP-1 dependent promoter. The cell is stimulated with phorbol ester which activates AP-1. AP-1 then binds to one of three promoter regions on the cells DNA leading to the production of a luciferase enzyme. Luciferin is added to the cell lysates and the luciferase enzyme catalyzes a cleavage of luciferin leading to the emission of light. B 4.89 pIC50 12800 nM IC50 US-9187397-B2. Therapeutic curcumin derivatives (2015)
Tubulin alpha 4a in Sheep (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2366421] [UniProtKB: C5ISA2]
ChEMBL Inhibition of Ovis aries (sheep) brain tubulin polymerization assessed as microtubule assembly after 15 min by measuring turbidity based spectroscopic analysis B 4.58 pIC50 26600 nM IC50 Med Chem Res (2011) 20: 503-510
tyrosinase/Tyrosinase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1973] [GtoPdb: 2643] [UniProtKB: P14679]
ChEMBL Inhibition of tyrosinase in human melanocyte cells using L-DOPA as substrate by absorbance method B 5.3 pIC50 5000 nM IC50 J Med Chem (2020) 63: 13428-13443 [PMID:32787103]
Vitamin D receptor/Vitamin D3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1977] [GtoPdb: 605] [UniProtKB: P11473]
ChEMBL Agonist activity at human VDR expressed in human HCT116 cells co-expressing VDRE assessed as XDR3 transcriptional activity after 24 hrs by luciferase reporter gene assay B 4.7 pEC50 20000 nM EC50 Bioorg Med Chem (2013) 21: 693-702 [PMID:23276449]
TRPV4 in Human [GtoPdb: 510] [UniProtKB: Q9HBA0]
GtoPdb - - 5.18 pEC50 6600 nM EC50 J Cardiovasc Transl Res (2019) 12: 600-607 [PMID:31664615]

ChEMBL data shown on this page come from version 36:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]