prexasertib [Ligand Id: 9549] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL3544911 (Ly-2606368, LY-2606368, LY2606368, Prexasertib) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| protein kinase AMP-activated non-catalytic subunit gamma 1/protein kinase AMP-activated catalytic subunit alpha 1/protein kinase AMP-activated non-catalytic subunit beta 1/AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2111345] [GtoPdb: 1545, 1541, 1543] [UniProtKB: P54619, Q13131, Q9Y478] | ||||||||
| ChEMBL | Inhibition of AMPKalpha1beta1gamma1 (unknown origin) using biotin-labelled STK substrate-1 as substrate incubated for 60 mins by HTRF assay | B | 6.99 | pIC50 | 101.62 | nM | IC50 | Eur J Med Chem (2019) 173: 44-62 [PMID:30986571] |
| cyclin dependent kinase 1/Cyclin-dependent kinase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL308] [GtoPdb: 1961] [UniProtKB: P06493] | ||||||||
| ChEMBL | Inhibition of CDK1 (unknown origin) using biotin-labelled STK substrate-1 as substrate incubated for 60 mins by HTRF assay | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2019) 173: 44-62 [PMID:30986571] |
| cyclin dependent kinase 2/Cyclin-dependent kinase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL301] [GtoPdb: 1973] [UniProtKB: P24941] | ||||||||
| ChEMBL | Inhibition of CDK2 (unknown origin) using biotin-labelled STK substrate-1 as substrate incubated for 60 mins by HTRF assay | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2019) 173: 44-62 [PMID:30986571] |
| NUAK family kinase 1/NUAK family SNF1-like kinase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5784] [GtoPdb: 2129] [UniProtKB: O60285] | ||||||||
| ChEMBL | Inhibition of NUAK1 (unknown origin) | B | 7.19 | pIC50 | 64 | nM | IC50 | J Med Chem (2021) 64: 2-25 [PMID:33356242] |
| fms related receptor tyrosine kinase 3/Receptor-type tyrosine-protein kinase FLT3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1974] [GtoPdb: 1807] [UniProtKB: P36888] | ||||||||
| ChEMBL | Inhibition of recombinant human C-terminal His-tagged FLT3 (M1 to N541 residues) expressed in HEK293 cells using biotin-labelled STK substrate-1 as substrate incubated for 60 mins by HTRF assay | B | 6.41 | pIC50 | 385.98 | nM | IC50 | Eur J Med Chem (2019) 173: 44-62 [PMID:30986571] |
| ribosomal protein S6 kinase B1/Ribosomal protein S6 kinase beta-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4501] [GtoPdb: 1525] [UniProtKB: P23443] | ||||||||
| ChEMBL | Inhibition of p70S6K (unknown origin) using biotin-labelled STK substrate-1 as substrate incubated for 60 mins by HTRF assay | B | 6.42 | pIC50 | 382.18 | nM | IC50 | Eur J Med Chem (2019) 173: 44-62 [PMID:30986571] |
| checkpoint kinase 1/Serine/threonine-protein kinase Chk1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4630] [GtoPdb: 1987] [UniProtKB: O14757] | ||||||||
| ChEMBL | Inhibition of CHK1 (unknown origin) | B | 9 | pIC50 | <1 | nM | IC50 | Eur J Med Chem (2021) 215: 113268-113268 [PMID:33636537] |
| ChEMBL | Inhibition of CHK1 (unknown origin) | B | 9 | pIC50 | <1 | nM | IC50 | Eur J Med Chem (2022) 230: 114109-114109 [PMID:35051747] |
| ChEMBL | Inhibition of CHK1 (unknown origin) | B | 9 | pIC50 | <1 | nM | IC50 | Eur J Med Chem (2024) 269: 116351-116351 [PMID:38547734] |
| GtoPdb | Biochemical assay using purified enzyme. | - | 9.05 | pIC50 | 0.9 | nM | IC50 | Mol Cancer Ther (2015) 14: 2004-13 [PMID:26141948] |
| ChEMBL | Inhibition of recombinant human N-terminal GST-tagged CHK1 (M1 to T476 residues) expressed in baculovirus infected insect cells using biotin-labelled STK substrate-1 as substrate incubated for 60 mins by HTRF assay | B | 9.25 | pIC50 | 0.56 | nM | IC50 | Eur J Med Chem (2019) 173: 44-62 [PMID:30986571] |
| ChEMBL | Inhibitory Activity Assay: IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecular Devices), and ATP were diluted with an assay buffer so that the final concentration would be 4 μg/mL, 2 μM, and 20 μM, respectively. FAM-PKAtide (R7255, Molecular Devices) and FAM-Phospho-PKAtide (R7304, Molecular Devices) were admixed after dilution, and calibration standard systems for phosphorylation levels from 0 to 100% were created. 5 μL of a compound dissolved in a 0.4% DMSO solution was added to a 384 well plate. A compound study group to which 5 μL of each of CHK1, CHK1tide, and ATP was added, and a standard group to which 20 μL of standard was added were created, and subjected to a kinase reaction for 3 hours at 30° C. Subsequently, 60 μL of Binding Reagent (80% Buffer A, 20% Buffer B, 1:600 Binding Reagent, 1:400 Tb-Donor) was added for a binding reaction for 2 hours at room temperature. SpectraMax Paradigm (Molecular Devices) was used to obtain fluorescence intensity of 520 nm or 490 nm as of 340 nm excitation. The standard was used to compute the phosphorylation level of CHK1tide, and the kinase activity was found by using the equation described below while assuming the phosphorylation level of the DMSO treated group as 100%, and the IC50 value corresponding to the concentration of the evaluated compound indicating kinase activity of 50% was calculated. | B | 9.27 | pIC50 | 0.54 | nM | IC50 | US-11564920-B2. 5-heteroaryl-1H-pyrazol-3-amine derivative (2023) |
| checkpoint kinase 2/Serine/threonine-protein kinase Chk2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2527] [GtoPdb: 1988] [UniProtKB: O96017] | ||||||||
| ChEMBL | Inhibition of recombinant human N-terminal GST-tagged CHK2 (M1 to L543 residues) expressed in baculovirus infected insect cells using biotin-labelled STK substrate-1 as substrate incubated for 60 mins by HTRF assay | B | 7.49 | pIC50 | 32.57 | nM | IC50 | Eur J Med Chem (2019) 173: 44-62 [PMID:30986571] |
| ChEMBL | Inhibition of CHK2 (unknown origin) | B | 8.1 | pIC50 | 8 | nM | IC50 | Eur J Med Chem (2022) 230: 114109-114109 [PMID:35051747] |
| ChEMBL | Inhibition of CHK2 (unknown origin) | B | 8.1 | pIC50 | 8 | nM | IC50 | Eur J Med Chem (2024) 269: 116351-116351 [PMID:38547734] |
| GtoPdb | Enzyme assay | - | 8.1 | pIC50 | 8 | nM | IC50 | Mol Cancer Ther (2015) 14: 2004-13 [PMID:26141948] |
| Pim-1 proto-oncogene, serine/threonine kinase/Serine/threonine-protein kinase pim-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2147] [GtoPdb: 2158] [UniProtKB: P11309] | ||||||||
| ChEMBL | Inhibition of recombinant human full length N-terminal His-tagged PIM1 (1 to 313 residues) expressed in baculovirus expression system using biotin-labelled STK substrate-1 as substrate incubated for 60 mins by HTRF assay | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2019) 173: 44-62 [PMID:30986571] |
| Pim-3 proto-oncogene, serine/threonine kinase/Serine/threonine-protein kinase pim-3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5407] [GtoPdb: 2160] [UniProtKB: Q86V86] | ||||||||
| ChEMBL | Inhibition of PIM3 (unknown origin) incubated for 60 mins using biotin-labelled STK substrate-1 as substrate by HTRF assay | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2019) 173: 44-62 [PMID:30986571] |
| BLK proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase Blk in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2250] [GtoPdb: 1940] [UniProtKB: P51451] | ||||||||
| ChEMBL | Inhibition of BLK (unknown origin) using biotin-labelled STK substrate-1 as substrate incubated for 60 mins by HTRF assay | B | 5.36 | pIC50 | 4409 | nM | IC50 | Eur J Med Chem (2019) 173: 44-62 [PMID:30986571] |
| LCK proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase Lck in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL258] [GtoPdb: 2053] [UniProtKB: P06239] | ||||||||
| ChEMBL | Inhibition of LCK (unknown origin) incubated for 60 mins by HTRF assay | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2019) 173: 44-62 [PMID:30986571] |
| LYN proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase Lyn in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3905] [GtoPdb: 2060] [UniProtKB: P07948] | ||||||||
| ChEMBL | Inhibition of LYN (unknown origin) incubated for 60 mins by HTRF assay | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2019) 173: 44-62 [PMID:30986571] |
| Kv11.1/Voltage-gated inwardly rectifying potassium channel KCNH2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
| ChEMBL | Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by automated patch clamp assay | B | 4.7 | pIC50 | 20000 | nM | IC50 | Eur J Med Chem (2019) 173: 44-62 [PMID:30986571] |
| ChEMBL | hERG Assay: The test compounds were added to cultured hERG (human Ether-a-go-go Related Gene) gene stably expressing CHO cell line cells to achieve 0.27 to 100 μM. The hERG current under electric potential stimulation was measured using Qube384 (Sophion Bioscience) to calculate the concentration at which each test compound suppresses 50% hERG current (IC50 value; μM). | B | 5.48 | pIC50 | 3300 | nM | IC50 | US-11564920-B2. 5-heteroaryl-1H-pyrazol-3-amine derivative (2023) |
| ribosomal protein S6 kinase A1 in Human [GtoPdb: 1527] [UniProtKB: Q15418] | ||||||||
| GtoPdb | Enzyme assay | - | 8.05 | pIC50 | 9 | nM | IC50 | Mol Cancer Ther (2015) 14: 2004-13 [PMID:26141948] |
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]
