AZ20 [Ligand Id: 8477] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL2325697
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  • protein kinase, DNA-activated, catalytic subunit/DNA-dependent protein kinase catalytic subunit in Human [ChEMBL: CHEMBL3142] [GtoPdb: 2800] [UniProtKB: P78527]
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  • phosphoinositide-3-kinase regulatory subunit 1/Phosphatidylinositol 3-kinase regulatory subunit alpha in Human [ChEMBL: CHEMBL2506] [GtoPdb: 2503] [UniProtKB: P27986]
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  • phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform in Human [ChEMBL: CHEMBL4005] [GtoPdb: 2153] [UniProtKB: P42336]
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  • ATM serine/threonine kinase/Serine-protein kinase ATM in Human [ChEMBL: CHEMBL3797] [GtoPdb: 1934] [UniProtKB: Q13315]
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  • ATR checkpoint kinase/Serine/threonine-protein kinase ATR in Human [ChEMBL: CHEMBL5024] [GtoPdb: 1935] [UniProtKB: Q13535]
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  • mechanistic target of rapamycin kinase/Serine/threonine-protein kinase mTOR in Human [ChEMBL: CHEMBL2842] [GtoPdb: 2109] [UniProtKB: P42345]
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  • TATA-box binding protein associated factor 1/Transcription initiation factor TFIID subunit 1 in Human [ChEMBL: CHEMBL3217390] [GtoPdb: 2231] [UniProtKB: P21675]
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  • Kv11.1/Voltage-gated inwardly rectifying potassium channel KCNH2 in Human [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
ATR checkpoint kinase/ATR/ATRIP in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106138] [GtoPdb: 1935] [UniProtKB: Q13535, Q8WXE1]
GtoPdb Inhibition of ATR immunoprecipitated from HeLa cells. - 8.3 pIC50 5 nM IC50 J Med Chem (2013) 56: 2125-38 [PMID:23394205]
ChEMBL Inhibition of human ATR/ATRIP using GST-tagged p53 as substrate in presence of 3 uM ATP by AlphaScreen assay B 8.3 pIC50 5 nM IC50 J Med Chem (2024) 67: 2349-2368 [PMID:38299539]
ChEMBL Inhibition of ATR/ATRIP (unknown origin) using 5-FAM-AK-17 as substrate preincubated with compound for 10 mins followed by ATP addition and measured after 240 mins by mobility shift assay B 8.35 pIC50 4.5 nM IC50 J Med Chem (2024) 67: 12735-12759 [PMID:39053006]
protein kinase, DNA-activated, catalytic subunit/DNA-dependent protein kinase catalytic subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3142] [GtoPdb: 2800] [UniProtKB: P78527]
ChEMBL Inhibition of DNA-PK-mediated autophosphorylation at serine 2056 in human HT29 cells B 4.52 pIC50 >30000 nM IC50 J Med Chem (2013) 56: 2125-2138 [PMID:23394205]
ChEMBL Inhibition of DNA-PK phosphorylation at Ser2056 residue in human HT-29 cells using ionizing radiation B 4.52 pIC50 >30000 nM IC50 J Med Chem (2018) 61: 9889-9907 [PMID:30346772]
ChEMBL Inhibition of human full length recombinant DNA-PK using GST-c-Myc-p53 as substrate measured after 30 mins in presence of Mg/ATP mix by ELISA B 5.89 pIC50 1300 nM IC50 J Med Chem (2024) 67: 2349-2368 [PMID:38299539]
phosphoinositide-3-kinase regulatory subunit 1/Phosphatidylinositol 3-kinase regulatory subunit alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2506] [GtoPdb: 2503] [UniProtKB: P27986]
ChEMBL Inhibition of PI3K alpha (unknown origin) by kinase profiler analysis B 5.89 pIC50 1300 nM IC50 J Med Chem (2024) 67: 2349-2368 [PMID:38299539]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4005] [GtoPdb: 2153] [UniProtKB: P42336]
ChEMBL Inhibition of PI3Kalpha-mediated AKT phosphorylation at threonine 308 in human BT474 cells B 4.52 pIC50 >30000 nM IC50 J Med Chem (2013) 56: 2125-2138 [PMID:23394205]
ChEMBL Inhibition of PI3Kalpha in human BT-474 cells assessed as decrease in AKT phosphorylation at T308 residue B 4.52 pIC50 >30000 nM IC50 J Med Chem (2018) 61: 9889-9907 [PMID:30346772]
ChEMBL Inhibition of PI3Kalpha (unknown origin) B 4.89 pIC50 13000 nM IC50 J Med Chem (2013) 56: 2125-2138 [PMID:23394205]
ATM serine/threonine kinase/Serine-protein kinase ATM in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3797] [GtoPdb: 1934] [UniProtKB: Q13315]
ChEMBL Inhibition of ATM-mediated autophosphorylation at serine 1981 in human HT29 cells B 4.52 pIC50 >30000 nM IC50 J Med Chem (2013) 56: 2125-2138 [PMID:23394205]
ChEMBL Inhibition of ATM phosphorylation at Ser1981 residue in human HT-29 cells using ionizing radiation B 4.52 pIC50 >30000 nM IC50 J Med Chem (2018) 61: 9889-9907 [PMID:30346772]
ChEMBL Inhibition of human full length recombinant ATM using GST-c-Myc-p53 as substrate measured after 30 mins in presence of Mg/ATP mix by ELISA B 5.15 pIC50 7100 nM IC50 J Med Chem (2024) 67: 2349-2368 [PMID:38299539]
ATR checkpoint kinase/Serine/threonine-protein kinase ATR in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5024] [GtoPdb: 1935] [UniProtKB: Q13535]
ChEMBL Inhibition of ATR in human HeLa S3 cells assessed as decrease in CHK1 phosphorylation at Ser345 residue pretreated for 20 mins followed by gemcitabine stimulation for 3.5 to 4 hrs by AlphaScreen SurFire assay B 6.89 pIC50 130 nM IC50 J Med Chem (2024) 67: 2349-2368 [PMID:38299539]
ChEMBL Inhibition of ATR in human HT29 cells after 60 mins by Hoechst 33258 staining-based assay B 7.21 pIC50 61 nM IC50 J Med Chem (2018) 61: 9889-9907 [PMID:30346772]
ChEMBL Inhibition of ATR (unknown origin) B 7.21 pIC50 61 nM IC50 Bioorg Med Chem (2022) 56: 116614-116614 [PMID:35033884]
ChEMBL Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide B 7.3 pIC50 50 nM IC50 J Med Chem (2013) 56: 2125-2138 [PMID:23394205]
GtoPdb Inhibition of ATR immunoprecipitated from HeLa cells. - 8.3 pIC50 5 nM IC50 J Med Chem (2013) 56: 2125-38 [PMID:23394205]
ChEMBL Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measured after 1 hr by ELISA B 8.3 pIC50 5 nM IC50 J Med Chem (2018) 61: 9889-9907 [PMID:30346772]
ChEMBL Inhibition of ATR (unknown origin) using peptide as substrate preincubated for 10 mins followed by substrate addition by microplate reader analysis B 8.3 pIC50 5 nM IC50 Eur J Med Chem (2023) 246: 114945-114945 [PMID:36462444]
ChEMBL Inhibition of ATR in human HeLa cell nuclear extracts using glutathione S-transferase-p53N66 and ATP as substrate incubated for 10 mins prior to ATP addition measured after 1 hr by ELISA B 8.3 pIC50 5 nM IC50 J Med Chem (2013) 56: 2125-2138 [PMID:23394205]
ChEMBL Inhibition of ATR (unknown origin) B 8.39 pIC50 4.1 nM IC50 Eur J Med Chem (2023) 255: 115370-115370 [PMID:37130473]
ChEMBL Inhibition of 5'-TAMRA-labeled tracer 3',6'-bis(dimethylamino)-N-(4-{[2(1H-indol-4-yl)-6-(morpholin-4-yl)-pyrimidin-4-yl]amino}butyl)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxamide binding to recombinant human full-length N-terminal Flag-tagged ATR expressed in HEK293-6E cells co-expressing human full-length STREP-tagged ATRIP preincubated for 10 mins followed by tracer addition and measured after 30 mins by TR-FRET assay B 8.52 pIC50 3 nM IC50 J Med Chem (2020) 63: 7293-7325 [PMID:32502336]
mechanistic target of rapamycin kinase/Serine/threonine-protein kinase mTOR in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2842] [GtoPdb: 2109] [UniProtKB: P42345]
ChEMBL Inhibition of mTOR in human MDA-MB-468 cells assessed as decrease in AKT phosphorylation at S473 residue B 5.62 pIC50 2400 nM IC50 J Med Chem (2018) 61: 9889-9907 [PMID:30346772]
ChEMBL Inhibition of mTOR-mediated AKT phosphorylation at serine 473 in human MDA-MB-468 cells B 5.62 pIC50 2400 nM IC50 J Med Chem (2013) 56: 2125-2138 [PMID:23394205]
ChEMBL Inhibition of mTOR in human MDA-MB-468 cells assessed as decrease in 70S6K S235/236 phosphorylation B 6.14 pIC50 720 nM IC50 J Med Chem (2018) 61: 9889-9907 [PMID:30346772]
ChEMBL Inhibition of human full length recombinant mTOR measured after 40 mins in presence of [gamma-33P]ATP by radiometric scintillation counting analysis B 6.46 pIC50 350 nM IC50 J Med Chem (2024) 67: 2349-2368 [PMID:38299539]
ChEMBL Inhibition of mTOR (unknown origin) B 7.42 pIC50 38 nM IC50 J Med Chem (2018) 61: 9889-9907 [PMID:30346772]
ChEMBL Inhibition of mTOR (unknown origin) using peptide as substrate preincubated for 10 mins followed by substrate addition by microplate reader analysis B 7.42 pIC50 38 nM IC50 Eur J Med Chem (2023) 246: 114945-114945 [PMID:36462444]
ChEMBL Inhibition of recombinant mTOR (unknown origin) B 7.42 pIC50 38 nM IC50 J Med Chem (2013) 56: 2125-2138 [PMID:23394205]
TATA-box binding protein associated factor 1/Transcription initiation factor TFIID subunit 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3217390] [GtoPdb: 2231] [UniProtKB: P21675]
ChEMBL Binding affinity to human TAF1 BD 2 (1501 to 1635 residues) transfected in Escherichia coli BL21 (DE3) assessed as dissociation constant by isothermal titration calorimetric analysis B 4.6 pKd >25000 nM Kd J Med Chem (2022) 65: 4182-4200 [PMID:35191694]
ChEMBL Binding affinity to human TAF1 tandem bromodomain (1373 to 1499 residues) transfected in Escherichia coli BL21 (DE3) assessed as dissociation constant by isothermal titration calorimetric analysis B 4.6 pKd >25000 nM Kd J Med Chem (2022) 65: 4182-4200 [PMID:35191694]
ChEMBL Binding affinity to human TAF1 BD 2 (1501 to 1635 residues) transfected in Escherichia coli BL21 (DE3) by Alphascreen assay B 4.6 pKd >25000 nM Kd J Med Chem (2022) 65: 4182-4200 [PMID:35191694]
ChEMBL Binding affinity to human TAF1 BD 2 (1501 to 1635 residues) transfected in Escherichia coli BL21 (DE3) assessed as dissociation constant by q-PCR based bromoscan assay B 5.21 pKd 6167 nM Kd J Med Chem (2022) 65: 4182-4200 [PMID:35191694]
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 by whole-cell electrophysiology assay B 4.3 pIC50 50000 nM IC50 J Med Chem (2013) 56: 2125-2138 [PMID:23394205]
ChEMBL Inhibition of human ERG by whole cell electrophysiology analysis B 4.3 pIC50 50000 nM IC50 J Med Chem (2018) 61: 9889-9907 [PMID:30346772]

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]