MPI-0479605 [Ligand Id: 9399] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL2047943 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| aurora kinase A/Aurora kinase A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4722] [GtoPdb: 1936] [UniProtKB: O14965] | ||||||||
| ChEMBL | Inhibition of Aur A | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 4377-4385 [PMID:22632936] |
| aurora kinase B/Aurora kinase B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2185] [GtoPdb: 1937] [UniProtKB: Q96GD4] | ||||||||
| ChEMBL | Inhibition of Aur B | B | 5.3 | pIC50 | >5000 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 4377-4385 [PMID:22632936] |
| TTK protein kinase/Dual specificity protein kinase TTK in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3983] [GtoPdb: 2264] [UniProtKB: P33981] | ||||||||
| ChEMBL | Inhibition of Mps1 (unknown origin) incubated for 120 mins in presence of substrate/ATP by ADP-Glo assay | B | 7.44 | pIC50 | 36 | nM | IC50 | Eur J Med Chem (2023) 245: 114887-114887 [PMID:36370549] |
| ChEMBL | Inhibition of full-length Mps1 kinase (unknown origin) | B | 8.3 | pIC50 | 5 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 6829-6833 [PMID:24183538] |
| ChEMBL | Inhibition of Mps1 | B | 8.4 | pIC50 | 4 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 4377-4385 [PMID:22632936] |
| ChEMBL | TTK Enzyme Assay: The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP® assay (Molecular Devices, Sunnyvale, Calif., U.S.A.). Compounds were dissolved in 100% dimethylsulfoxide (DMSO). At the day of the experiment, the compound stock was diluted in 3.16 fold steps in 100% DMSO, to obtain a 10-point dilution series, followed by further dilution in IMAP reaction buffer, which consists of 10 mM Tris-HCl, pH 7.5, 10 mM MgCl2, 0.01% Tween-20, 0.1% NaN3 and 1 mM freshly prepared dithiothreitol. Compound solution was mixed with an equal volume of full-length TTK enzyme in IMAP reaction buffer. After pre-incubation of 1 hour in the dark at room temperature, fluorescein-labeled MBP-derived substrate peptide (Molecular Devices) was added and ATP to start the reaction. Final enzyme concentration was 3.9 nM, final substrate concentration 50 nM, and final ATP concentration was 5 μM. The reaction was allowed to proceed for 2 hours at room temperature in the dark. The reaction was stopped by quenching with IMAP progressive binding solution according to the protocol of the manufacturer (Molecular Devices). Fluorescein polarization was measured on an Envision multimode reader (Perkin Elmer, Waltham, Mass., USA). Dose-response curves were fitted to a four-parameter logarithmic equation in XLfit 5 (ID Business Solutions, Ltd., Guildford, U.K.). | B | 8.59 | pIC50 | 2.6 | nM | IC50 | US-11208696-B2. Prognostic biomarkers for TTK inhibitor chemotherapy (2021) |
| ChEMBL | Inhibition of human recombinant TTK expressed in Escherichia coli Rossetta 2 (DE3) incubated for 1 hr by TR-FRET assay | B | 8.72 | pIC50 | 1.9 | nM | IC50 | Eur J Med Chem (2024) 273: 116504-116504 [PMID:38795520] |
| GtoPdb | - | - | 8.74 | pIC50 | 1.8 | nM | IC50 | Mol Cancer Ther (2011) 10: 2267-75 [PMID:21980130] |
| ChEMBL | Inhibition of MPS1 (519 to 808 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 18 hrs | B | 8.74 | pIC50 | 1.8 | nM | IC50 | Eur J Med Chem (2019) 175: 247-268 [PMID:31121430] |
| ChEMBL | Inhibition of C-terminal tGFP-tagged full-length human MPS1 expressed in mammalian expression system using myelin basic protein as substrate in presence of ATP | B | 8.74 | pIC50 | 1.8 | nM | IC50 | J Med Chem (2023) 66: 16484-16514 [PMID:38095579] |
| ChEMBL | Inhibition of GST-fused full length human TTK compound pre-incubated for 15 mins prior ATP addition by MBP-based assay | B | 8.74 | pIC50 | 1.8 | nM | IC50 | Bioorg Med Chem (2014) 22: 4968-4997 [PMID:25043312] |
| ChEMBL | Inhibition of human MPS1 expressed in Escherichia coli | B | 8.74 | pIC50 | 1.8 | nM | IC50 | J Med Chem (2013) 56: 4343-4356 [PMID:23634759] |
| polo like kinase 1/Serine/threonine-protein kinase PLK1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3024] [GtoPdb: 2168] [UniProtKB: P53350] | ||||||||
| ChEMBL | Inhibition of PLK1 | B | 5.3 | pIC50 | >5000 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 4377-4385 [PMID:22632936] |
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]
