ethacrynic acid [Ligand Id: 7179] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL456 (Acide etacrynique, Acido etacrinico, Edecrin, Etacrynic acid, Ethacrynate, Ethacrynic acid, Hydromedin, MK-595, NSC-624008, NSC-85791, Reomax) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| 14 kDa phosphohistidine phosphatase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5169200] [UniProtKB: Q9NRX4] | ||||||||
| ChEMBL | Inhibition of human PHPT1 expressed in Escherichia coli BL21 (DE3) using pNPP as substrate incubated for 1 hr by multimode microplate reader analysis | B | 4.74 | pIC50 | 18300 | nM | IC50 | ACS Med Chem Lett (2022) 13: 1911-1915 [PMID:36518699] |
| 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 | 5.94 | pIC50 | 1150 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| mitogen-activated protein kinase kinase 6/Dual specificity mitogen-activated protein kinase kinase 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2171] [GtoPdb: 2067] [UniProtKB: P52564] | ||||||||
| ChEMBL | Inhibition of MEK6 (unknown origin) | B | 5.35 | pIC50 | 4500 | nM | IC50 | Bioorg Med Chem Lett (2020) 30: 127203-127203 [PMID:32389527] |
| Glutathione-S-transferase in Schistosoma japonicum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105850] [UniProtKB: Q26513] | ||||||||
| ChEMBL | Inhibition of Schistosoma japonicum GST by spectrophotometric analysis | B | 5.74 | pIC50 | 1840 | nM | IC50 | J Med Chem (2023) 66: 11118-11132 [PMID:37552553] |
| Glutathione S-transferase A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3409] [UniProtKB: P08263] | ||||||||
| ChEMBL | Inhibition of GST A1-1 | B | 5.3 | pIC50 | 5000 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 3780-3783 [PMID:16675217] |
| Glutathione S-transferase Mu 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4589] [UniProtKB: P28161] | ||||||||
| ChEMBL | Inhibition of human GSTM2 by spectrophotometric analysis | B | 4.7 | pIC50 | >20000 | nM | IC50 | J Med Chem (2023) 66: 11118-11132 [PMID:37552553] |
| Glutathione S-transferase Pi in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3902] [UniProtKB: P09211] | ||||||||
| ChEMBL | Inhibition of GST P1-1 | B | 5.4 | pIC50 | 4000 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 3780-3783 [PMID:16675217] |
| ChEMBL | Inhibition of GST P1-1 in human HL60 cell lysate | B | 5.47 | pIC50 | 3400 | nM | IC50 | J Med Chem (2010) 53: 1015-1022 [PMID:20055416] |
| glutathione S-transferase omega 1/Glutathione transferase omega 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3174] [GtoPdb: 3110] [UniProtKB: P78417] | ||||||||
| ChEMBL | Inhibition of human GSTO1-1 by MMA (V) reductase assay | B | 4.6 | pIC50 | 25000 | nM | IC50 | J Med Chem (2018) 61: 7448-7470 [PMID:29652143] |
| GroEL/GroES in Escherichia coli (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106139] [UniProtKB: Q548M1, Q7BGE6] | ||||||||
| ChEMBL | Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured soluble pig heart MDH refolding by measuring MDH enzyme activity using sodium mesoxalate as substrate after 20 to 40 mins by malachite green dye based spectrometric analysis | B | 5.28 | pIC50 | 5200 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084] |
| ChEMBL | Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured rhodanese refolding by measuring rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric analysis | B | 5.33 | pIC50 | 4700 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084] |
| 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 | 5.07 | pIC50 | 8500 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084] |
| 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 His-tagged SARS-CoV-2 3CLpro by microplate reader assay | B | 5.95 | pIC50 | 1110 | nM | IC50 | Eur J Med Chem (2023) 257: 115491-115491 [PMID:37244162] |
| UDP-glucose 4-epimerase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5843] [UniProtKB: Q14376] | ||||||||
| ChEMBL | Inhibition of human GalE by HPAEC assay | B | 4.85 | pIC50 | 14000 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 5744-5747 [PMID:16962325] |
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]
