JMS-053 [Ligand Id: 12480] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL4445621 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Protein tyrosine phosphatase type IVA 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075169] [UniProtKB: Q93096] | ||||||||
| ChEMBL | Inhibition of PTP4A1 (unknown origin) expressed in Escherichia coli assessed as reduction in hydrolysis using DIFMUP as substrate incubated for 30 mins in presence of DTT by Fluorescence based method | B | 7.3 | pIC50 | 50 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 2008-2015 [PMID:31307888] |
| Protein tyrosine phosphatase type IVA 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075105] [UniProtKB: Q12974] | ||||||||
| ChEMBL | Inhibition of PTP4A2 (unknown origin) expressed in Escherichia coli assessed as reduction in hydrolysis using DIFMUP as substrate incubated for 30 mins in presence of DTT by Fluorescence based method | B | 7.28 | pIC50 | 52 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 2008-2015 [PMID:31307888] |
| protein tyrosine phosphatase 4A3/Protein tyrosine phosphatase type IVA 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4162] [GtoPdb: 3224] [UniProtKB: O75365] | ||||||||
| ChEMBL | Inhibition of recombinant human PTP4A3 | B | 7.08 | pIC50 | 84 | nM | IC50 | Bioorg Med Chem Lett (2021) 46: 128167-128167 [PMID:34089839] |
| ChEMBL | Inhibition of recombinant human His-6-tagged PTP4A3 expressed in Escherichia coli assessed as reduction in hydrolysis using DIFMUP as substrate incubated for 30 mins in presence of DTT by Fluorescence based method | B | 7.46 | pIC50 | 35 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 2008-2015 [PMID:31307888] |
| ChEMBL | Inhibition of recombinant human His6-tagged PRL-3 expressed in Escherichia coli using DiFMUP as substrate incubated for 30 mins by fluorescence based assay | B | 7.7 | pIC50 | 20 | nM | IC50 | Bioorg Med Chem Lett (2021) 41: 127981-127981 [PMID:33766767] |
| GtoPdb | Inhibition of recombinant human His6-tagged PRL-3, using DiFMUP as substrate in a fluorescence based assay. | - | 7.7 | pIC50 | 20 | nM | IC50 | Bioorg Med Chem Lett (2021) 41: 127981 [PMID:33766767] |
| ChEMBL | In Vitro Biochemical Evaluation: The in vitro biochemical evaluation of all compounds was carried out using recombinant human PTP4A3, overexpressed as a His6-tag fusion protein in E. coli and purified on a metal affinity column. Assays were performed using 6,8-difluoro-4-methylumbelliferyl phosphate (DiFMUP) as an artificial substrate at 25° C. for 30 min in 40 mM Tris-HCl (pH 7.0), 75 mM NaCl, 2 mM EDTA, and 4 mM DTT buffer. The reaction was carried out in 45 μL total volume per well of a black 384-well plate and initiated upon addition of DiFMUP at a final concentration of 12 μM (3× the Km of PTP4A3 for DiFMUP, to ensure that the reaction velocity remained constant throughout the assay) to each well containing 1 μg of full-length protein. The fluorescence was measured using a SpectraMax M5 plate reader at 358 nm excitation and 455 nm emission. Fluorescence values were used to calculate the percent inhibition of enzyme activity relative to maximal activity, PTP4A3 in the absence of inhibitor, and maximal inhibition, PTP4A3 in the presence of 2 mM Na3VO4. | B | 7.74 | pIC50 | 18 | nM | IC50 | US-10308663-B2. Inhibitors of PTP4A3 for the treatment of cancer (2019) |
| protein tyrosine phosphatase non-receptor type 1/Tyrosine-protein phosphatase non-receptor type 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL335] [GtoPdb: 2976] [UniProtKB: P18031] | ||||||||
| ChEMBL | Inhibition of human PTP1B assessed as reduction in hydrolysis using DIFMUP as substrate incubated for 30 mins in presence of DTT by Fluorescence based method | B | 4.1 | pIC50 | >80000 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 2008-2015 [PMID:31307888] |
ChEMBL data shown on this page come from version 36:
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]
