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ChEMBL ligand: CHEMBL506247 (Asian holly oak nutgall, E181, FEMA NO. 3042, Gallotannic acid, Gallotannin, NSC-656273, NSC-758670, Tannic acid, Tannic acid, unspecified, Tannicum acidum) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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aldo-keto reductase family 1 member B/Aldose reductase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2622] [GtoPdb: 2768] [UniProtKB: P07943] | ||||||||
ChEMBL | DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde) | B | 6.46 | pIC50 | 346 | nM | IC50 | DrugMatrix in vitro pharmacology data |
Arachidonate 15-lipoxygenase in Rabbit (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4358] [UniProtKB: P12530] | ||||||||
ChEMBL | DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid) | B | 6.57 | pIC50 | 268 | nM | IC50 | DrugMatrix in vitro pharmacology data |
Carbonic anhydrase in Dicentrarchus labrax (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1795125] [UniProtKB: Q2PCB5] | ||||||||
ChEMBL | Inhibition of Dicentrarchus labrax CA using 4-nitrophenylacetate substrate by esterase assay | B | 5.03 | pKi | 9410 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 4259-4262 [PMID:21669522] |
carbonic anhydrase 1/Carbonic anhydrase I in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL261] [GtoPdb: 2597] [UniProtKB: P00915] | ||||||||
ChEMBL | Inhibition of human CA1 using 4-nitrophenylacetate substrate by esterase assay | B | 4.12 | pKi | 75900 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 4259-4262 [PMID:21669522] |
carbonic anhydrase 2/Carbonic anhydrase II in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL205] [GtoPdb: 3092] [UniProtKB: P00918] | ||||||||
ChEMBL | Inhibition of human CA2 using 4-nitrophenylacetate substrate by esterase assay | B | 4.48 | pKi | 32800 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 4259-4262 [PMID:21669522] |
Carbonic anhydrase VI in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3025] [UniProtKB: P23280] | ||||||||
ChEMBL | Inhibition of human CA6 using 4-nitrophenylacetate substrate by esterase assay | B | 4.75 | pKi | 17800 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 4259-4262 [PMID:21669522] |
CYP1A2/Cytochrome P450 1A2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3356] [GtoPdb: 1319] [UniProtKB: P05177] | ||||||||
ChEMBL | DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | B | 6.04 | pIC50 | 919 | nM | IC50 | DrugMatrix in vitro pharmacology data |
CYP2C9/Cytochrome P450 2C9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3397] [GtoPdb: 1326] [UniProtKB: P11712] | ||||||||
ChEMBL | DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | B | 5.34 | pIC50 | 4607.4 | nM | IC50 | DrugMatrix in vitro pharmacology data |
Dengue virus type 2 NS3 protein in Dengue virus type 2 (strain Thailand/16681/1984) (DENV-2) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5980] [UniProtKB: P29990] | ||||||||
ChEMBL | Inhibition of Dengue Virus 1 recombinant NS2B-NS3 protease expressed in Escherichia coli using Bz-Nle-Arg-Arg-AMC as substrate incubated for 30 mins | B | 6.89 | pIC50 | 130 | nM | IC50 | Bioorg Med Chem (2021) 49: 116415-116415 [PMID:34601454] |
ChEMBL | Inhibition of Dengue Virus 2 recombinant NS2B-NS3 protease expressed in Escherichia coli using Bz-Nle-Arg-Arg-AMC as substrate incubated for 30 mins | B | 6.89 | pIC50 | 130 | nM | IC50 | Bioorg Med Chem (2021) 49: 116415-116415 [PMID:34601454] |
ChEMBL | Inhibition of Dengue Virus 3 recombinant NS2B-NS3 protease expressed in Escherichia coli using Bz-Nle-Arg-Arg-AMC as substrate incubated for 30 mins | B | 6.89 | pIC50 | 130 | nM | IC50 | Bioorg Med Chem (2021) 49: 116415-116415 [PMID:34601454] |
ChEMBL | Inhibition of Dengue Virus 4 recombinant NS2B-NS3 protease expressed in Escherichia coli using Bz-Nle-Arg-Arg-AMC as substrate incubated for 30 mins | B | 6.89 | pIC50 | 130 | nM | IC50 | Bioorg Med Chem (2021) 49: 116415-116415 [PMID:34601454] |
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 | pIC50 | 1000 | 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 | 6.06 | pIC50 | 870 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084] |
hydroxymethylglutaryl-CoA reductase/HMG-CoA reductase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL402] [GtoPdb: 639] [UniProtKB: P04035] | ||||||||
ChEMBL | DRUGMATRIX: HMG-CoA Reductase enzyme inhibition (substrate: [14C]HMG-CoA) | B | 5.5 | pIC50 | 3127 | nM | IC50 | DrugMatrix in vitro pharmacology data |
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 | 5.42 | pIC50 | 3800 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084] |
Leukotriene C4 synthase in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1909043] [UniProtKB: A6XA80] | ||||||||
ChEMBL | DRUGMATRIX: Leukotriene LTC4 Synthase enzyme inhibition (substrate: LTA4) | B | 5.57 | pIC50 | 2715 | nM | IC50 | DrugMatrix in vitro pharmacology data |
mitogen-activated protein kinase 3/MAP kinase ERK1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3385] [GtoPdb: 1494] [UniProtKB: P27361] | ||||||||
ChEMBL | DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein) | B | 5.39 | pIC50 | 4052 | nM | IC50 | DrugMatrix in vitro pharmacology data |
mitogen-activated protein kinase 1/MAP kinase ERK2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4040] [GtoPdb: 1495] [UniProtKB: P28482] | ||||||||
ChEMBL | DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein) | B | 6.73 | pIC50 | 185 | nM | IC50 | DrugMatrix in vitro pharmacology data |
mitogen-activated protein kinase 14/MAP kinase p38 alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL260] [GtoPdb: 1499] [UniProtKB: Q16539] | ||||||||
ChEMBL | DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein) | B | 6.43 | pIC50 | 375 | nM | IC50 | DrugMatrix in vitro pharmacology data |
phosphodiesterase 5A/Phosphodiesterase 5A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1827] [GtoPdb: 1304] [UniProtKB: O76074] | ||||||||
ChEMBL | DRUGMATRIX: Phosphodiesterase PDE5 enzyme inhibition (substrate: [3H]cGMP + cGMP) | B | 5.33 | pIC50 | 4703 | nM | IC50 | DrugMatrix in vitro pharmacology data |
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 | Inhibition of N-terminal His6-tagged recombinant full length SARS-CoV-2 3CLpro expressed in Escherichia coli BL21(DE3) using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as fluorogenic substrate preincubated with compound for 10 mins followed by substrate addition by FRET assay | B | 6.23 | pEC50 | 585 | nM | EC50 | Eur J Med Chem (2023) 257: 115503-115503 [PMID:37229831] |
CoV 3C-like (main) protease/CoV Replicase polyprotein 1a/SARS coronavirus 3C-like proteinase in Severe acute respiratory syndrome-related coronavirus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3927] [GtoPdb: 3111, 3124] [UniProtKB: P0C6U8] | ||||||||
ChEMBL | Inhibition of SARS-CoV 3CLpro | B | 5.08 | pEC50 | 8307 | nM | EC50 | Eur J Med Chem (2023) 257: 115503-115503 [PMID:37229831] |
CYP5A1/Thromboxane-A synthase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1835] [GtoPdb: 1353] [UniProtKB: P24557] | ||||||||
ChEMBL | DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2) | B | 6.49 | pIC50 | 325 | nM | IC50 | DrugMatrix in vitro pharmacology data |
FYN proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase FYN in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1841] [GtoPdb: 2026] [UniProtKB: P06241] | ||||||||
ChEMBL | DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr)) | B | 7.66 | pIC50 | 22 | nM | IC50 | DrugMatrix in vitro pharmacology data |
LCK proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase LCK in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL258] [GtoPdb: 2053] [UniProtKB: P06239] | ||||||||
ChEMBL | DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr)) | B | 7.1 | pIC50 | 79 | nM | IC50 | DrugMatrix in vitro pharmacology data |
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]