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

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ChEMBL ligand: CHEMBL297453 ((-)-Epigallocatechin Gallate, Epigalocatechin gallate)
  • 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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  • 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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  • 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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  • 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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  • 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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  • 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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  • 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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  • 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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  • 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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  • Signal transducer and activator of transcription 1-alpha/beta in Human [ChEMBL: CHEMBL6101] [UniProtKB: P42224]
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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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  • 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
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]
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]
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 amyloid 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]
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 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]
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]
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 (null)
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 (null)
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 (null)
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 (null)
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]
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]
GtoPdb - - 6.48 pIC50 330 nM IC50 Brain Sci (2018) 8: [PMID:30332747]
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]
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]
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]
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]
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]
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]
Plasmodium falciparum D6 (target type: ORGANISM) [ChEMBL: CHEMBL2367107]
ChEMBL Antimalarial activity against chloroquine-sensitive/mefloquine-resistant Plasmodium falciparum D6 by malaria SYBR green 1-based fluorescence (MSF) assay F 7.14 pIC50 73 nM IC50 Bioorg Med Chem Lett (2015) 25: 327-332 [PMID:25488841]
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]
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]
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]
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 33:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]