ethacrynic acid [Ligand Id: 7179] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL456 (Edecrin, Etacrynic acid, Ethacrynate, Ethacrynic acid, Hydromedin, MK-595, NSC-624008, NSC-85791, Reomax)
  • aldo-keto reductase family 1 member B/Aldose reductase in Rat [ChEMBL: CHEMBL2622] [GtoPdb: 2768] [UniProtKB: P07943]
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  • mitogen-activated protein kinase kinase 6/Dual specificity mitogen-activated protein kinase kinase 6 in Human [ChEMBL: CHEMBL2171] [GtoPdb: 2067] [UniProtKB: P52564]
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  • Glutathione S-transferase A1 in Human [ChEMBL: CHEMBL3409] [UniProtKB: P08263]
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  • Glutathione S-transferase Pi in Human [ChEMBL: CHEMBL3902] [UniProtKB: P09211]
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  • glutathione S-transferase omega 1/Glutathione transferase omega 1 in Human [ChEMBL: CHEMBL3174] [GtoPdb: 3110] [UniProtKB: P78417]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
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 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 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]
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 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]