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ChEMBL ligand: CHEMBL297453 ((-)-Epigallocatechin Gallate, Epigalocatechin gallate) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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3-oxoacyl-acyl-carrier protein reductase in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4513] [UniProtKB: Q965D6] | ||||||||
ChEMBL | Inhibition of FabG | B | 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]