epigallocatechin-3-gallate [Ligand Id: 7002] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL297453 ((-)-Epigallocatechin Gallate, Epigalocatechin gallate)
  • hydroxysteroid 11-beta dehydrogenase 1/11-beta-hydroxysteroid dehydrogenase 1 in Human [ChEMBL: CHEMBL4235] [GtoPdb: 2763] [UniProtKB: P28845]
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  • hydroxysteroid 11-beta dehydrogenase 2/11-beta-hydroxysteroid dehydrogenase 2 in Human [ChEMBL: CHEMBL3746] [GtoPdb: 3143] [UniProtKB: P80365]
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  • 3-oxoacyl-acyl-carrier protein reductase in Plasmodium falciparum [ChEMBL: CHEMBL4513] [UniProtKB: Q965D6]
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  • 3-oxoacyl-(Acyl-carrier protein) reductase in Plasmodium falciparum 3D7 [ChEMBL: CHEMBL2424511] [UniProtKB: Q8I2S7]
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  • 6-phosphogluconate dehydrogenase in Human [ChEMBL: CHEMBL3404] [UniProtKB: P52209]
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  • Anthrax lethal factor in Bacillus anthracis [ChEMBL: CHEMBL4372] [UniProtKB: P15917]
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  • BCL2 apoptosis regulator/Apoptosis regulator Bcl-2 in Human [ChEMBL: CHEMBL4860] [GtoPdb: 2844] [UniProtKB: P10415]
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  • beta-secretase 1/Beta-secretase 1 in Human [ChEMBL: CHEMBL4822] [GtoPdb: 2330] [UniProtKB: P56817]
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  • CB1 receptor/Cannabinoid CB1 receptor in Human [ChEMBL: CHEMBL218] [GtoPdb: 56] [UniProtKB: P21554]
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  • CB2 receptor/Cannabinoid CB2 receptor in Human [ChEMBL: CHEMBL253] [GtoPdb: 57] [UniProtKB: P34972]
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  • casein kinase 1 epsilon/Casein kinase I epsilon in Human [ChEMBL: CHEMBL4937] [GtoPdb: 1998] [UniProtKB: P49674]
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  • CpG DNA methylase in Spiroplasma monobiae [ChEMBL: CHEMBL4373] [UniProtKB: P15840]
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  • CREB binding protein/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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  • Dihydrofolate reductase in Mycobacterium tuberculosis [ChEMBL: CHEMBL6065] [UniProtKB: P9WNX1]
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  • dipeptidyl peptidase 4/Dipeptidyl peptidase IV in Human [ChEMBL: CHEMBL284] [GtoPdb: 1612] [UniProtKB: P27487]
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  • DNA methyltransferase 1/DNA (cytosine-5)-methyltransferase 1 in Human [ChEMBL: CHEMBL1993] [GtoPdb: 2605] [UniProtKB: P26358]
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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 in Human [GtoPdb: 2009] [UniProtKB: Q13627]
  • dual specificity tyrosine phosphorylation regulated kinase 1A/Dual specificity tyrosine-phosphorylation-regulated kinase 1A in Rat [ChEMBL: CHEMBL5508] [GtoPdb: 2009] [UniProtKB: Q63470]
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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 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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  • Glucose-6-phosphate 1-dehydrogenase in Saccharomyces cerevisiae S288c [ChEMBL: CHEMBL1075249] [UniProtKB: P11412]
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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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  • lysine acetyltransferase 5/Histone acetyltransferase KAT5 in Human [ChEMBL: CHEMBL5750] [GtoPdb: 2664] [UniProtKB: Q92993]
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  • E1A binding protein p300/Histone acetyltransferase p300 in Human [ChEMBL: CHEMBL3784] [GtoPdb: 2735] [UniProtKB: Q09472]
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  • lysine acetyltransferase 2B/Histone acetyltransferase PCAF in Human [ChEMBL: CHEMBL5500] [GtoPdb: 2737] [UniProtKB: Q92831]
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  • Human immunodeficiency virus type 1 reverse transcriptase in Human immunodeficiency virus 1 [ChEMBL: CHEMBL247] [UniProtKB: Q72547]
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  • Latent membrane protein 1 in Human herpesvirus 4 (strain B95-8) [ChEMBL: CHEMBL1795089] [UniProtKB: P03230]
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  • elastase, neutrophil expressed/Leukocyte elastase in Human [ChEMBL: CHEMBL248] [GtoPdb: 2358] [UniProtKB: P08246]
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  • MAPK activated protein kinase 5/MAP kinase-activated protein kinase 5 in Human [ChEMBL: CHEMBL3094] [GtoPdb: 2096] [UniProtKB: Q8IW41]
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  • mitogen-activated protein kinase 14/MAP kinase p38 alpha in Human [ChEMBL: CHEMBL260] [GtoPdb: 1499] [UniProtKB: Q16539]
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  • MMP14/Matrix metalloproteinase 14 in Human [ChEMBL: CHEMBL3869] [GtoPdb: 1638] [UniProtKB: P50281]
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  • MMP2/Matrix metalloproteinase-2 in Human [ChEMBL: CHEMBL333] [GtoPdb: 1629] [UniProtKB: P08253]
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  • peptidylprolyl cis/trans isomerase, NIMA-interacting 1/Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 in Human [ChEMBL: CHEMBL2288] [GtoPdb: 3171] [UniProtKB: Q13526]
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  • phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha/PI3-kinase p110-alpha subunit in Human [ChEMBL: CHEMBL4005] [GtoPdb: 2153] [UniProtKB: P42336]
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  • embryonic ectoderm development/Polycomb protein EED in Human [ChEMBL: CHEMBL2189117] [GtoPdb: 2487] [UniProtKB: O75530]
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  • Polymerase acidic protein in Influenza A virus (A/Puerto Rico/8/1934(H1N1)) [ChEMBL: CHEMBL1169598] [UniProtKB: P03433]
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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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  • Replicase polyprotein 1ab in Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC) [ChEMBL: CHEMBL4295557] [UniProtKB: K9N7C7]
  • CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/CoV Non-structural protein 13/Replicase polyprotein 1ab in Severe acute respiratory syndrome coronavirus 2 [ChEMBL: CHEMBL4523582] [GtoPdb: 3125, 3139, 3206, 3261] [UniProtKB: P0DTD1]
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  • Sarcoplasmic/endoplasmic reticulum calcium ATP-ase in Rabbit [ChEMBL: CHEMBL4693] [UniProtKB: P04191]
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  • mechanistic target of rapamycin kinase/Serine/threonine-protein kinase mTOR in Human [ChEMBL: CHEMBL2842] [GtoPdb: 2109] [UniProtKB: P42345]
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  • Signal transducer and activator of transcription 1-alpha/beta in Human [ChEMBL: CHEMBL6101] [UniProtKB: P42224]
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  • OATP2B1/Solute carrier organic anion transporter family member 2B1 in Human [ChEMBL: CHEMBL1743124] [GtoPdb: 1224] [UniProtKB: O94956]
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  • squalene monooxygenase/Squalene monooxygenase in Rat [ChEMBL: CHEMBL4241] [GtoPdb: 2433] [UniProtKB: P52020]
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  • Telomerase reverse transcriptase in Human [ChEMBL: CHEMBL2916] [UniProtKB: O14746]
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  • FYN proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase FYN in Human [ChEMBL: CHEMBL1841] [GtoPdb: 2026] [UniProtKB: P06241]
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  • TAS2R5 in Human [GtoPdb: 662] [UniProtKB: Q9NYW4]
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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 human 11beta-HSD1 incubated for 2 hrs by HPLC analysis B 4.24 pIC50 57990 nM IC50 Eur J Med Chem (2020) 191: 112134-112134 [PMID:32088493]
hydroxysteroid 11-beta dehydrogenase 2/11-beta-hydroxysteroid dehydrogenase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3746] [GtoPdb: 3143] [UniProtKB: P80365]
ChEMBL Inhibition of human 11beta-HSD2 incubated for 2 hrs by HPLC analysis B 4.68 pIC50 20930 nM IC50 Eur J Med Chem (2020) 191: 112134-112134 [PMID:32088493]
3-oxoacyl-acyl-carrier protein reductase in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4513] [UniProtKB: Q965D6]
ChEMBL Inhibition of FabG B 6.52 pIC50 300 nM IC50 J Med Chem (2006) 49: 3345-3353 [PMID:16722653]
3-oxoacyl-(Acyl-carrier protein) reductase in Plasmodium falciparum 3D7 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2424511] [UniProtKB: Q8I2S7]
ChEMBL Inhibition of recombinant Plasmodium falciparum 3D7 FabG using acetoacetyl-CoA as substrate after 10 mins in presence of NADPH B 6.49 pIC50 320 nM IC50 J Med Chem (2013) 56: 7516-7526 [PMID:24063369]
40S ribosomal protein SA in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6119] [UniProtKB: P08865]
ChEMBL Binding affinity to His-tagged Laminin receptor in human A549 cells assessed as dissociation constant by surface plasmon resonance assay B 7.4 pKd 39.9 nM Kd Bioorg Med Chem (2023) 96: 117483-117483 [PMID:37951136]
6-phosphogluconate dehydrogenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3404] [UniProtKB: P52209]
ChEMBL Inhibition of 6PGD B 6.14 pIC50 720 nM IC50 Bioorg Med Chem (2008) 16: 3580-3586 [PMID:18313308]
ADAMTS4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2318] [GtoPdb: 1677] [UniProtKB: O75173]
ChEMBL Inhibition of ADAMTS-4 (unknown origin) B 7 pIC50 100 nM IC50 J Med Chem (2022) 65: 13505-13532 [PMID:36250680]
ADAMTS5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2285] [GtoPdb: 1678] [UniProtKB: Q9UNA0]
ChEMBL Inhibition of ADAMTS-5 (unknown origin) B 7 pIC50 100 nM IC50 J Med Chem (2022) 65: 13505-13532 [PMID:36250680]
Amyloid-beta A4 protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2487] [UniProtKB: P05067]
ChEMBL Inhibition of amyloid beta (1 to 42) aggregation (unknown origin) at 4:1 compound to protein concentration after 48 hrs by thioflavin T fluorescence assay B 4 pIC50 100000 nM IC50 J Med Chem (2013) 56: 4135-4155 [PMID:23484434]
ChEMBL Inhibition of amyloid beta1-42 (unknown origin) aggregation assessed as amyloid fibril formation tested after 17 hrs by thioflavin T fluorescence method B 5.34 pIC50 4600 nM IC50 Bioorg Med Chem Lett (2014) 24: 3108-3112 [PMID:24878198]
ChEMBL Inhibition of amyloid beta1-40 (unknown origin) aggregation B 5.52 pIC50 3000 nM IC50 Bioorg Med Chem Lett (2014) 24: 3108-3112 [PMID:24878198]
ChEMBL Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation incubated at 37 degC for 16 hrs by thioflavin T fluorescence assay B 6.3 pIC50 500 nM IC50 J Nat Prod (2015) 78: 1221-1230 [PMID:25978520]
ChEMBL Inhibition of amyloid beta (unknown origin) aggregation B 6.74 pIC50 180 nM IC50 Eur J Med Chem (2018) 152: 570-589 [PMID:29763806]
ChEMBL Inhibition of Amyloid beta (1 to 42) (unknown origin) aggregation incubated for 24 hrs by ThioflavinT-dye based fluorescence analysis B 6.85 pIC50 140 nM IC50 J Nat Prod (2023) 86: 882-890 [PMID:36861650]
Anthrax lethal factor in Bacillus anthracis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4372] [UniProtKB: P15917]
ChEMBL Inhibition of Bacillus anthracis lethal factor B 7.01 pIC50 97 nM IC50 Eur J Med Chem (2021) 226: 113877-113877 [PMID:34624823]
BCL2 apoptosis regulator/Apoptosis regulator Bcl-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4860] [GtoPdb: 2844] [UniProtKB: P10415]
ChEMBL Displacement of NLWAAQRYGRELRRMSD-K(FITC)-FVD from Bcl-2 (unknown origin) by fluorescence polarization assay B 6.47 pKi 335 nM Ki Med Chem Res (2010) 19: 817-835
ChEMBL Binding affinity to BCL2 B 6.63 pKi 234.42 nM Ki Proc Natl Acad Sci U S A (2007) 104: 19512-19517 [PMID:18040043]
beta-secretase 1/Beta-secretase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4822] [GtoPdb: 2330] [UniProtKB: P56817]
ChEMBL Inhibition of BACE1 using Rh-EVNLDAEFK-Quencher as substrate B 5.8 pIC50 1600 nM IC50 Bioorg Med Chem Lett (2012) 22: 1408-1414 [PMID:22225636]
ChEMBL Inhibition of human BACE-1 B 5.8 pIC50 1600 nM IC50 Eur J Med Chem (2018) 152: 570-589 [PMID:29763806]
ChEMBL Inhibition of recombinant human BACE1 using Eu-CEVNLDAEFK-Qsy7 as substrate by HTRF assay B 6.12 pIC50 757 nM IC50 Bioorg Med Chem Lett (2012) 22: 1408-1414 [PMID:22225636]
CB1 receptor/Cannabinoid CB1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL218] [GtoPdb: 56] [UniProtKB: P21554]
ChEMBL Displacement of [3H]-CP5594 from human recombinant CB1 receptor expressed in Chem1 cells after 90 mins by scintillation counting method B 4.47 pKi 33600 nM Ki J Med Chem (2017) 60: 9413-9436 [PMID:28654265]
ChEMBL Displacement of [3H]-CP55940 from CB1 receptor (unknown origin) B 4.47 pKi 33600 nM Ki J Nat Prod (2019) 82: 636-646 [PMID:30816712]
CB2 receptor/Cannabinoid CB2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL253] [GtoPdb: 57] [UniProtKB: P34972]
ChEMBL Displacement of [3H]-CP55940 from CB2 receptor (unknown origin) B 4.37 pKi 42800 nM Ki J Nat Prod (2019) 82: 636-646 [PMID:30816712]
casein kinase 1 epsilon/Casein kinase I 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 6.44 pIC50 365 nM IC50 J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
CpG DNA methylase in Spiroplasma monobiae (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4373] [UniProtKB: P15840]
ChEMBL Competitive inhibition of Spiroplasma sp. MQ1 SssI methyltransferase using pUC18 as substrate measured for 10 mins by Dixon plot analysis B 7.55 pKi 28 nM Ki Eur J Med Chem (2012) 55: 243-254 [PMID:22854677]
CREB binding protein/CREB-binding protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5747] [GtoPdb: 2734] [UniProtKB: Q92793]
ChEMBL Inhibition of recombinant GST-tagged CBP (unknown origin) using histone H4 peptide substrate assessed as reduction in NADH formation by spectrophotometric analysis B 4.3 pIC50 50000 nM IC50 J Med Chem (2016) 59: 1249-1270 [PMID:26701186]
ChEMBL Inhibition of CBP (unknown origin) B 4.3 pIC50 50000 nM IC50 Eur J Med Chem (2019) 178: 259-286 [PMID:31195169]
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 6.37 pIC50 431 nM IC50 J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
Dihydrofolate reductase in Mycobacterium tuberculosis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6065] [UniProtKB: P9WNX1]
ChEMBL Inhibition of Mycobacterium tuberculosis DHFR B 4.96 pIC50 10910 nM IC50 Eur J Med Chem (2020) 195: 112268-112268 [PMID:32298876]
dipeptidyl peptidase 4/Dipeptidyl peptidase IV in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL284] [GtoPdb: 1612] [UniProtKB: P27487]
ChEMBL Inhibition of DPP4 (unknown origin) using Gly-Pro-AMC as substrate preincubated for 4 secs followed by substrate addition and measured after 30 mins by luminescence assay B 4.99 pIC50 10210 nM IC50 Eur J Med Chem (2018) 151: 145-157 [PMID:29609120]
DNA methyltransferase 1/DNA (cytosine-5)-methyltransferase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1993] [GtoPdb: 2605] [UniProtKB: P26358]
ChEMBL Inhibition of His6-tagged human recombinant DNMT1 expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-biotinylated 45-bp unmethylated or hemimethylated oligonucleotide substrates and [3H]-AdoMet by liquid scintillation counting method B 6.3 pIC50 500 nM IC50 J Med Chem (2015) 58: 2569-2583 [PMID:25406944]
DNA repair protein RAD52 homolog in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2362978] [UniProtKB: P43351]
ChEMBL Inhibition of RAD52 (unknown origin) assessed as effect on RAD52-mediated annealing of complementary oligonucleotides using T-28 ssDNA substrate by FRET assay B 5.17 pIC50 6700 nM IC50 US-20180209956-A1. HTS Assay for Identifying Small Molecule Inhibitors of RAD52 and Uses of Identified Small Molecule Inhibitors for Treatment and Prevention of BRCA-Deficient Malignancies (2018)
ChEMBL Inhibition of RAD52 (unknown origin) assessed as effect on RAD52-mediated annealing of complementary oligonucleotides using T-28 ssDNA substrate in presence of replication protein A by FRET assay B 5.43 pIC50 3700 nM IC50 US-20180209956-A1. HTS Assay for Identifying Small Molecule Inhibitors of RAD52 and Uses of Identified Small Molecule Inhibitors for Treatment and Prevention of BRCA-Deficient Malignancies (2018)
ChEMBL Inhibition of RAD52 (unknown origin) assessed as reduction in RAD52-ssDNA interaction using Cy3-dT30-Cy5 ssDNA in presence of replication protein A by FRET assay B 5.8 pIC50 1600 nM IC50 US-20180209956-A1. HTS Assay for Identifying Small Molecule Inhibitors of RAD52 and Uses of Identified Small Molecule Inhibitors for Treatment and Prevention of BRCA-Deficient Malignancies (2018)
ChEMBL Inhibition of RAD52 (unknown origin) assessed as reduction in RAD52-ssDNA interaction using Cy3-dT30-Cy5 ssDNA by FRET assay B 6.56 pIC50 277 nM IC50 US-20180209956-A1. HTS Assay for Identifying Small Molecule Inhibitors of RAD52 and Uses of Identified Small Molecule Inhibitors for Treatment and Prevention of BRCA-Deficient Malignancies (2018)
ChEMBL Inhibition of 6His-tagged human RD52 assessed as reduction in RD52 binding to Cy3-dT30-Cy5 ssDNA incubated for 30 mins by FRET assay B 6.56 pIC50 277 nM IC50 J Med Chem (2020) 63: 14151-14183 [PMID:33135887]
CDC like kinase 1/Dual specificity protein kinase CLK1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4224] [GtoPdb: 1990] [UniProtKB: P49759]
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 pIC50 >10000 nM IC50 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 7.15 pIC50 71.6 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 5.88 pIC50 1317 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 5.59 pIC50 2577 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 6.43 pIC50 367.7 nM IC50 J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
dual specificity tyrosine phosphorylation regulated kinase 1A in Human [GtoPdb: 2009] [UniProtKB: Q13627]
GtoPdb - - 6.48 pIC50 330 nM IC50 Brain Sci (2018) 8: [PMID:30332747]
dual specificity tyrosine phosphorylation regulated kinase 1A/Dual specificity tyrosine-phosphorylation-regulated kinase 1A in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5508] [GtoPdb: 2009] [UniProtKB: Q63470]
ChEMBL Inhibition of rat Dyrk1A using Woodtide as substrate after 40 mins by P81 membrane assay in presence of [33P]-g-ATP B 6.48 pIC50 330 nM IC50 Bioorg Med Chem Lett (2015) 25: 2948-2952 [PMID:26048785]
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 Inhibition of GST-tagged human DYRK1A using dephosphorylated MBP as substrate after 10 mins by Kinase-Glo plus luminescent kinase assay B 4.87 pIC50 13440 nM IC50 Bioorg Med Chem Lett (2012) 22: 168-171 [PMID:22154664]
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 6.12 pIC50 765.6 nM IC50 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 6.31 pIC50 490.7 nM IC50 J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
GtoPdb - - 6.48 pIC50 330 nM IC50 Brain Sci (2018) 8: [PMID:30332747]
ChEMBL Inhibition of DYRK1A (unknown origin) B 6.48 pIC50 330 nM IC50 Bioorg Med Chem (2022) 70: 116921-116921 [PMID:35863237]
ChEMBL Inhibition of DYRK1A (unknown origin) B 6.48 pIC50 330 nM IC50 Eur J Med Chem (2018) 158: 559-592 [PMID:30243157]
ChEMBL Inhibition of human GST-fused DYRK1A expressed in Escherichia coli using KISGRLSPIMTEQ as substrate B 6.48 pIC50 330 nM IC50 J Med Chem (2013) 56: 9569-9585 [PMID:24188002]
ChEMBL Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate after 40 mins in presence of [gamma33P-ATP] B 6.48 pIC50 330 nM IC50 J Med Chem (2018) 61: 9791-9810 [PMID:29985601]
ChEMBL Inhibition of DYRK1A (unknown origin) using HT-497 as substrate preincubated with compound followed by substrate addition and measured after 30 mins in the presence of ATP by ELISA analysis B 6.63 pIC50 232 nM IC50 Bioorg Med Chem Lett (2022) 64: 128675-128675 [PMID:35292341]
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 using DYRKtide peptide as substrate incubated for 110 mins in presence of ATP by non-radioactive ADP-Glo luminescence microplate reader assay 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 incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis B 6.15 pIC50 713.6 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 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 5.7 pIC50 2004 nM IC50 J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
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 5.79 pIC50 1625 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 5.28 pIC50 5200 nM IC50 J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
Enoyl-[acyl-carrier-protein] reductase in Escherichia coli (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1857] [UniProtKB: P0AEK4]
ChEMBL Inhibition of Escherichia coli ENR B 4.82 pIC50 15000 nM IC50 J Med Chem (2007) 50: 765-775 [PMID:17263522]
ChEMBL Inhibition of Escherichia coli FabI using trans-2-octanoyl-N-acetylcysteamine as substrate by spectrophotometry B 5.3 pIC50 5000 nM IC50 Bioorg Med Chem Lett (2020) 30: 127651-127651 [PMID:33130290]
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 6.73 pKi 186 nM Ki J Med Chem (2007) 50: 765-775 [PMID:17263522]
ChEMBL Inhibition of Plasmodium falciparum ENR using crotonyl-CoA substrate B 7.1 pKi 79 nM Ki J Med Chem (2007) 50: 765-775 [PMID:17263522]
ChEMBL Inhibition of Plasmodium falciparum ENR in presence of triclosan B 8.1 pKi 8 nM Ki J Med Chem (2007) 50: 765-775 [PMID:17263522]
ChEMBL Inhibition of Plasmodium falciparum ENR B 6.6 pIC50 250 nM IC50 J Med Chem (2007) 50: 765-775 [PMID:17263522]
ChEMBL Inhibition of FabI B 6.7 pIC50 200 nM IC50 J Med Chem (2006) 49: 3345-3353 [PMID:16722653]
Fatty acid synthase in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4512] [UniProtKB: Q965D7]
ChEMBL Inhibition of FabZ B 6.4 pIC50 400 nM IC50 J Med Chem (2006) 49: 3345-3353 [PMID:16722653]
ChEMBL Inhibition of recombinant Plasmodium falciparum FabZ using crotonoyl-CoA as substrate after 10 mins B 7.52 pIC50 30 nM IC50 J Med Chem (2013) 56: 7516-7526 [PMID:24063369]
Fatty acid synthase in Chicken (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1795136] [UniProtKB: P12276]
ChEMBL Inhibition of chicken liver FASN ketoreductase activity B 4 pIC50 100000 nM IC50 J Med Chem (2011) 54: 5615-5638 [PMID:21726077]
ChEMBL Inhibition of chicken liver FASN B 4.28 pIC50 52000 nM IC50 J Med Chem (2011) 54: 5615-5638 [PMID:21726077]
ChEMBL Inhibition of chicken liver FASN using acetyl-CoA, malonyl-CoA and NADPH as substrate by spectrophotometer analysis B 4.28 pIC50 52000 nM IC50 Eur J Med Chem (2019) 182: 111597-111597 [PMID:31422225]
fatty acid synthase/Fatty acid synthase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4158] [GtoPdb: 2608] [UniProtKB: P49327]
ChEMBL Inhibition of FAS B 4.28 pIC50 51970 nM IC50 Bioorg Med Chem Lett (2010) 20: 6045-6047 [PMID:20817450]
Genome polyprotein in Zika virus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523954] [UniProtKB: A0A024AXB9]
ChEMBL Inhibition of Zika virus NS2B (1421 to 1469 residues) - NS3 (1503 to 1688 residues) expressed in Escherichia coli BL21(DE3) cells using Dabcyl-KTSAVLQSGFRKME-Edans as substrate after 11 mins by FRET assay B 4.06 pIC50 87000 nM IC50 J Med Chem (2020) 63: 470-489 [PMID:31549836]
Glucose-6-phosphate 1-dehydrogenase in Saccharomyces cerevisiae S288c (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075249] [UniProtKB: P11412]
ChEMBL Inhibition of yeast G6PD B 6.6 pIC50 250 nM IC50 Bioorg Med Chem (2008) 16: 3580-3586 [PMID:18313308]
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 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 5.2 pIC50 6269 nM IC50 J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
GroEL/GroES in Escherichia coli (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106139] [UniProtKB: Q548M1, Q7BGE6]
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 6.24 pIC50 580 nM IC50 Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084]
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 6.44 pIC50 360 nM IC50 Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084]
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 MET kinase by Dixon plot analysis B 5.48 pKi 3300 nM Ki J Med Chem (2009) 52: 6543-6545 [PMID:19839593]
ChEMBL Inhibition of MET kinase B 5 pIC50 10000 nM IC50 J Med Chem (2009) 52: 6543-6545 [PMID:19839593]
lysine acetyltransferase 5/Histone acetyltransferase KAT5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5750] [GtoPdb: 2664] [UniProtKB: Q92993]
ChEMBL Inhibition of recombinant TIP60 (unknown origin) using histone H4 peptide substrate assessed as reduction in NADH formation by spectrophotometric analysis B 4.15 pIC50 70000 nM IC50 J Med Chem (2016) 59: 1249-1270 [PMID:26701186]
ChEMBL Inhibition of Tip60 (unknown origin) B 4.15 pIC50 70000 nM IC50 Eur J Med Chem (2019) 178: 259-286 [PMID:31195169]
E1A binding protein p300/Histone acetyltransferase p300 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3784] [GtoPdb: 2735] [UniProtKB: Q09472]
GtoPdb - - 4.52 pIC50 30000 nM IC50 Cancer Res (2009) 69: 583-92 [PMID:19147572]
ChEMBL Inhibition of recombinant GST-tagged p300 (unknown origin) using histone H4 peptide substrate assessed as reduction in NADH formation by spectrophotometric analysis B 4.52 pIC50 30000 nM IC50 J Med Chem (2016) 59: 1249-1270 [PMID:26701186]
ChEMBL Inhibition of P300 (unknown origin) B 4.52 pIC50 30000 nM IC50 Eur J Med Chem (2019) 178: 259-286 [PMID:31195169]
lysine acetyltransferase 2B/Histone acetyltransferase PCAF in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5500] [GtoPdb: 2737] [UniProtKB: Q92831]
GtoPdb - - 4.22 pIC50 60000 nM IC50 Cancer Res (2009) 69: 583-92 [PMID:19147572]
ChEMBL Inhibition of recombinant PCAF (unknown origin) using histone H4 peptide substrate assessed as reduction in NADH formation by spectrophotometric analysis B 4.22 pIC50 60000 nM IC50 J Med Chem (2016) 59: 1249-1270 [PMID:26701186]
ChEMBL Inhibition of PCAF (unknown origin) B 4.22 pIC50 60000 nM IC50 Eur J Med Chem (2019) 178: 259-286 [PMID:31195169]
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 5.64 pIC50 2300 nM IC50 Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084]
Human immunodeficiency virus type 1 reverse transcriptase in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL247] [UniProtKB: Q72547]
ChEMBL Inhibition of polymerization in wild type HIV-1 RT with poly rC/dG12-18 template primer and [3H]dGTP B 6.14 pIC50 730 nM IC50 Bioorg Med Chem Lett (2001) 11: 2763-2767 [PMID:11591519]
Latent membrane protein 1 in Human herpesvirus 4 (strain B95-8) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1795089] [UniProtKB: P03230]
ChEMBL Binding affinity to Epstein Barr virus LMP1 assessed as dissociation constant B 6.44 pKd 360 nM Kd Bioorg Med Chem (2023) 96: 117483-117483 [PMID:37951136]
elastase, neutrophil expressed/Leukocyte elastase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL248] [GtoPdb: 2358] [UniProtKB: P08246]
ChEMBL Inhibition of human neutrophil elastase B 4.89 pIC50 12800 nM IC50 Bioorg Med Chem Lett (2010) 20: 513-515 [PMID:20004577]
MAPK activated protein kinase 5/MAP kinase-activated protein kinase 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3094] [GtoPdb: 2096] [UniProtKB: Q8IW41]
ChEMBL Inhibition of PRAK (unknown origin) B 6 pIC50 1000 nM IC50 J Med Chem (2018) 61: 9791-9810 [PMID:29985601]
mitogen-activated protein kinase 14/MAP kinase p38 alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL260] [GtoPdb: 1499] [UniProtKB: Q16539]
ChEMBL Inhibition of p38alpha after 1 hr by ELISA B 5.66 pIC50 2210 nM IC50 J Nat Prod (2010) 73: 2035-2041 [PMID:21080642]
MMP14/Matrix metalloproteinase 14 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3869] [GtoPdb: 1638] [UniProtKB: P50281]
ChEMBL Inhibition of human recombinant MT1-MMP expressed in Escherichia coli by fluorogenic peptide cleavage assay B 5.17 pIC50 6800 nM IC50 Bioorg Med Chem Lett (2009) 19: 4171-4174 [PMID:19524436]
MMP2/Matrix metalloproteinase-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL333] [GtoPdb: 1629] [UniProtKB: P08253]
ChEMBL Inhibition of human recombinant MMP2 expressed in Escherichia coli by fluorogenic peptide cleavage assay B 5.02 pIC50 9600 nM IC50 Bioorg Med Chem Lett (2009) 19: 4171-4174 [PMID:19524436]
MMP7/Matrix metalloproteinase 7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4073] [GtoPdb: 1631] [UniProtKB: P09237]
ChEMBL Inhibition of human recombinant MMP7 expressed in Escherichia coli by fluorogenic peptide cleavage assay B 4.67 pIC50 21500 nM IC50 Bioorg Med Chem Lett (2009) 19: 4171-4174 [PMID:19524436]
Microtubule-associated protein tau in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293224] [UniProtKB: P10636]
ChEMBL Inhibition of human recombinant brain tau protein (412 amino acid residues) filament assembly expressed in Escherichia coli BL21(DE3) by electron microscopic analysis in presence of heparin B 5.74 pIC50 1800 nM IC50 J Med Chem (2013) 56: 4135-4155 [PMID:23484434]
NAD kinase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6177] [UniProtKB: O95544]
ChEMBL Binding affinity to N-terminal full length NADK (unknown origin) expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant by surface plasmon resonance assay B 5.75 pKd 1780 nM Kd ACS Med Chem Lett (2022) 13: 1699-1706 [PMID:36385933]
ChEMBL Non-competitive inhibition of N-terminal full length NADK (unknown origin) expressed in Escherichia coli BL21(DE3) cells by HDX-MS analysis B 5.48 pKi 3280 nM Ki ACS Med Chem Lett (2022) 13: 1699-1706 [PMID:36385933]
ChEMBL Inhibition of NADK delta 95 kinase domain (unknown origin) at 80 uM measured after 30 mins by HDX-MS analysis B 6.02 pIC50 960 nM IC50 ACS Med Chem Lett (2022) 13: 1699-1706 [PMID:36385933]
peptidylprolyl cis/trans isomerase, NIMA-interacting 1/Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2288] [GtoPdb: 3171] [UniProtKB: Q13526]
ChEMBL Inhibition of full length Pin1 (unknown origin) using WFY(pS)PR-pNA as substrate by spectrophotometric analysis B 4.7 pIC50 20000 nM IC50 Bioorg Med Chem Lett (2013) 23: 4283-4291 [PMID:23796453]
ABCB1/P-glycoprotein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183]
ChEMBL Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversible of paclitaxel resistance measured as IC50 for paclitaxel at 1 uM after 5 days by CellTiter 96 Aqueous assay B 6.91 pIC50 124.1 nM IC50 J Med Chem (2015) 58: 4529-4549 [PMID:25985195]
ChEMBL Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversible of paclitaxel resistance measured as IC50 for paclitaxel at 10 uM after 5 days by CellTiter 96 Aqueous assay B 6.91 pIC50 122.6 nM IC50 J Med Chem (2015) 58: 4529-4549 [PMID:25985195]
Phosphoglycerate mutase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3334418] [UniProtKB: P18669]
ChEMBL Inhibition of recombinant human His-tagged PGAM1 expressed in Escherichia coli BL21 competent cells by kinase-glo assay B 6.31 pIC50 490 nM IC50 Bioorg Med Chem (2018) 26: 1961-1970 [PMID:29530347]
ChEMBL Inhibition of recombinant His-tagged PGAM1 (unknown origin) expressed in Escherichia coli BL21 using 3-PG as substrate in presence of ADP by Kinase-Glo max luminescent assay B 6.31 pIC50 490 nM IC50 Bioorg Med Chem Lett (2021) 36: 127820-127820 [PMID:33513389]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha/PI3-kinase p110-alpha subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4005] [GtoPdb: 2153] [UniProtKB: P42336]
ChEMBL Inhibition of PIK3alpha (unknown origin) expressed in baculovirus assessed as inhibition constant using PIP2 as substrate in presence of [gamma-32P]ATP incubated for 30 mins by scintillation proximity assay B 6.42 pKi 380 nM Ki Eur J Med Chem (2020) 208: 112820-112820 [PMID:32966896]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54 F 4.59 pIC50 25500 nM IC50 J Med Chem (2006) 49: 3345-3353 [PMID:16722653]
ChEMBL Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 F 5 pIC50 9900 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 5.85 pIC50 1400 nM IC50 Bioorg Med Chem Lett (2015) 25: 327-332 [PMID:25488841]
ChEMBL Antimalarial activity against chloroquine /mefloquine/pyrimethamine-resistant Plasmodium falciparum C235 by malaria SYBR green 1-based fluorescence (MSF) assay F 6.21 pIC50 610 nM IC50 Bioorg Med Chem Lett (2015) 25: 327-332 [PMID:25488841]
ChEMBL Antimalarial activity against chloroquine-sensitive/mefloquine-resistant Plasmodium falciparum D6 by malaria SYBR green 1-based fluorescence (MSF) assay F 7.14 pIC50 73 nM IC50 Bioorg Med Chem Lett (2015) 25: 327-332 [PMID:25488841]
embryonic ectoderm development/Polycomb protein EED in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2189117] [GtoPdb: 2487] [UniProtKB: O75530]
ChEMBL Binding affinity to EED (unknown origin) assessed as dissociation constant SPR assay B 4.82 pKd 15100 nM Kd Eur J Med Chem (2022) 231: 114144-114144 [PMID:35093670]
Polymerase acidic protein in Influenza A virus (A/Puerto Rico/8/1934(H1N1)) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1169598] [UniProtKB: P03433]
ChEMBL Inhibition of Influenza A virus N-terminal domain of PA endonuclease using 6FAM-TGGCAATATCAGCTCCACA-MGBNFQ as fluorescent substrate by FRET analysis B 5.19 pIC50 6450 nM IC50 J Med Chem (2023) 66: 188-219 [PMID:36521178]
ChEMBL Inhibition of Influenza A virus N-terminal domain of PA endonuclease using 6FAM-TGGCAATATCAGCTCCACA-MGBNFQ as fluorescent substrate by FRET analysis B 5.23 pIC50 5860 nM IC50 Eur J Med Chem (2022) 227: 113929-113929 [PMID:34700269]
mPGES1/Prostaglandin E synthase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5658] [GtoPdb: 1377] [UniProtKB: O14684]
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 5.74 pIC50 1800 nM IC50 Eur J Med Chem (2018) 153: 2-28 [PMID:29329790]
proteasome 20S subunit beta 5/Proteasome Macropain subunit MB1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4662] [GtoPdb: 2406] [UniProtKB: P28074]
ChEMBL Inhibition of chymotrypsin-like activity of human 26S proteasome in human Jurkat cells assessed as decrease in AMC hydrolysis using Z-Gly-Gly-Arg-AMC as substrate preincubated for 12 hrs followed by addition of substrate and measured after 2 hrs by fluorometric analysis B 4.74 pIC50 18000 nM IC50 Eur J Med Chem (2019) 167: 291-311 [PMID:30776692]
ChEMBL Inhibition of chymotrypsin-like activity of human 26S proteasome extracted from human Jurkat cells assessed as decrease in AMC hydrolysis using Z-Gly-Gly-Arg-AMC as substrate after 90 mins by fluorometric analysis B 6 pIC50 1000 nM IC50 Eur J Med Chem (2019) 167: 291-311 [PMID:30776692]
ChEMBL Inhibition of chymotrypsin-like activity of purified human 20S proteasome assessed as decrease in AMC hydrolysis using Suc-Leu-Leu-Val-Tyr-AMC as substrate incubated for 30 mins by fluorometric analysis B 7.07 pIC50 86 nM IC50 Eur J Med Chem (2019) 167: 291-311 [PMID:30776692]
Replicase polyprotein 1ab in Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4295557] [UniProtKB: K9N7C7]
ChEMBL MERS_3CL Pro protease inhibition IC50 by FRET kind of response from peptide substrate F 5 pIC50 >10000 nM IC50 Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen
ChEMBL MERS_3CL Pro protease inhibition IC50 by FRET kind of response from peptide substrate F 5 pIC50 >10000 nM IC50 Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen
CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/CoV Non-structural protein 13/Replicase polyprotein 1ab in Severe acute respiratory syndrome coronavirus 2 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523582] [GtoPdb: 3125, 3139, 3206, 3261] [UniProtKB: P0DTD1]
ChEMBL SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate F 5.8 pIC50 1580 nM IC50 Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen
ChEMBL SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate F 6.14 pIC50 720 nM IC50 Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase in Rabbit (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4693] [UniProtKB: P04191]
ChEMBL Inhibition of rabbit skeletal muscle microsomes SERCA1a B 4.92 pIC50 12000 nM IC50 J Med Chem (2020) 63: 1937-1963 [PMID:32030976]
mechanistic target of rapamycin kinase/Serine/threonine-protein kinase mTOR in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2842] [GtoPdb: 2109] [UniProtKB: P42345]
ChEMBL Inhibition of mTOR (unknown origin) assessed as inhibition constant using GFP-4EBP1 as substrate by Lanthascreen based time resolved fluorescence based assay B 6.49 pKi 320 nM Ki Eur J Med Chem (2020) 208: 112820-112820 [PMID:32966896]
Signal transducer and activator of transcription 1-alpha/beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6101] [UniProtKB: P42224]
ChEMBL Binding affinity to STAT1 (unknown origin) by surface plasmon resonance assay B 6.15 pKd 700 nM Kd J Nat Prod (2014) 77: 543-549 [PMID:24417609]
OATP2B1/Solute carrier organic anion transporter family member 2B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1743124] [GtoPdb: 1224] [UniProtKB: O94956]
ChEMBL Inhibition of human OATP2B1 expressed in Flp-In-CHO cells assessed as inhibition of OATP2B1 mediated DBF uptake using DBF as fluorescent substrate incubated for 2 mins by BCA assay B 4.1 pIC50 79600 nM IC50 RSC Med Chem (2023) 14: 890-898 [PMID:37252098]
ChEMBL Inhibition of human OATP2B1 expressed in Flp-In-CHO cells assessed as inhibition of OATP2B1 mediated DBF uptake using DBF as fluorescent substrate incubated for 2 mins by BCA assay B 4.1 pIC50 79432.82 nM IC50 RSC Med Chem (2023) 14: 890-898 [PMID:37252098]
squalene monooxygenase/Squalene monooxygenase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4241] [GtoPdb: 2433] [UniProtKB: P52020]
ChEMBL Compound was evaluated for its inhibitory activity against recombinant rat SE(squalene epoxidase) B 6.16 pIC50 690 nM IC50 Bioorg Med Chem Lett (2000) 10: 2525-2528 [PMID:11086721]
ChEMBL Inhibition of rat squalene epoxidase B 6.16 pIC50 690 nM IC50 J Nat Prod (2001) 64: 1010-1014 [PMID:11520216]
Telomerase reverse transcriptase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2916] [UniProtKB: O14746]
ChEMBL Inhibition of telomerase in human HeLa cells using 5'-AAT CCG TCG AGC AGA GTT-3' as substrate incubated for 15 mins prior to extension reaction by telomeric repeat amplification protocol B 5.93 pIC50 1180 nM IC50 J Med Chem (2012) 55: 3678-3686 [PMID:22413845]
ChEMBL Inhibition of telomerase in human HeLa cells using 5'-AAT CCG TCG AGC AGA GTT-3' as substrate incubated for 15 mins prior to extension reaction followed by compound washout by spin-telomeric repeat amplification protocol B 5.97 pIC50 1080 nM IC50 J Med Chem (2012) 55: 3678-3686 [PMID:22413845]
ChEMBL Inhibition of telomerase in human U937 cells B 6 pIC50 1000 nM IC50 J Med Chem (2012) 55: 3678-3686 [PMID:22413845]
ChEMBL Inhibition of telomerase (unknown origin) by TRAP assay B 6 pIC50 1000 nM IC50 Medchemcomm (2011) 2: 229-245
transthyretin/Transthyretin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3194] [GtoPdb: 2851] [UniProtKB: P02766]
ChEMBL Binding affinity to recombinant human transthyretin expressed in Escherichia coli BL21 by STD-NMR spectroscopic method B 6.4 pKd 400 nM Kd J Med Chem (2017) 60: 5749-5758 [PMID:28587455]
ChEMBL Binding affinity to wild type TTR (unknown origin) expressed in bacterial expression system by isothermal titration calorimetry B 6.4 pKd 400 nM Kd J Med Chem (2020) 63: 14228-14242 [PMID:32914975]
FYN proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase FYN in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1841] [GtoPdb: 2026] [UniProtKB: P06241]
ChEMBL Binding affinity to Fyn (unknown origin) assessed as dissociation constant B 6.44 pKd 367 nM Kd Bioorg Med Chem (2023) 96: 117483-117483 [PMID:37951136]
TAS2R5 in Human [GtoPdb: 662] [UniProtKB: Q9NYW4]
GtoPdb - - 4.91 pEC50 12300 nM EC50 J Agric Food Chem (2018) 66: 8814-8823 [PMID:30056706]

ChEMBL data shown on this page come from version 34:

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