BX-795 [Ligand Id: 8006] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL577784 (BX-795)
  • 3-phosphoinositide dependent protein kinase 1/3-phosphoinositide dependent protein kinase-1 in Human [ChEMBL: CHEMBL2534] [GtoPdb: 1519] [UniProtKB: O15530]
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  • inhibitor of nuclear factor kappa B kinase subunit epsilon/Inhibitor of nuclear factor kappa B kinase epsilon subunit in Human [ChEMBL: CHEMBL3529] [GtoPdb: 2040] [UniProtKB: Q14164]
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  • NUAK family kinase 1/NUAK family SNF1-like kinase 1 in Human [ChEMBL: CHEMBL5784] [GtoPdb: 2129] [UniProtKB: O60285]
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  • pyruvate dehydrogenase kinase 1/Pyruvate dehydrogenase kinase isoform 1 in Human [ChEMBL: CHEMBL4766] [GtoPdb: 2915] [UniProtKB: Q15118]
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  • TANK binding kinase 1/Serine/threonine-protein kinase TBK1 in Human [ChEMBL: CHEMBL5408] [GtoPdb: 2237] [UniProtKB: Q9UHD2]
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  • unc-51 like autophagy activating kinase 1/Serine/threonine-protein kinase ULK1 in Human [ChEMBL: CHEMBL6006] [GtoPdb: 2271] [UniProtKB: O75385]
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  • unc-51 like autophagy activating kinase 2/Serine/threonine-protein kinase ULK2 in Human [ChEMBL: CHEMBL5435] [GtoPdb: 2272] [UniProtKB: Q8IYT8]
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  • protein kinase A in Human [GtoPdb: 1694]
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  • kinase insert domain receptor in Human [GtoPdb: 1813] [UniProtKB: P35968]
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  • aurora kinase B in Human [GtoPdb: 1937] [UniProtKB: Q96GD4]
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  • cyclin dependent kinase 2 in Human [GtoPdb: 1973] [UniProtKB: P24941]
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  • checkpoint kinase 1 in Human [GtoPdb: 1987] [UniProtKB: O14757]
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  • glycogen synthase kinase 3 beta in Human [GtoPdb: 2030] [UniProtKB: P49841]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
3-phosphoinositide dependent protein kinase 1/3-phosphoinositide dependent protein kinase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2534] [GtoPdb: 1519] [UniProtKB: O15530]
GtoPdb In a direct kinase activity measuring phosphorylation od a small peptide substrate mimetic - 7.96 pIC50 11 nM IC50 J Biol Chem (2005) 280: 19867-74 [PMID:15772071]
ChEMBL Inhibition of PDK1 (unknown origin) B 8.22 pIC50 6 nM IC50 J Med Chem (2022) 65: 893-921 [PMID:33539089]
Cyclic GMP-AMP synthase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105728] [GtoPdb: 3165] [UniProtKB: Q8N884]
ChEMBL Inhibition of cGAS in human THP1 cells assessed as reduction in salmon sperm dsDNA-induced IFN-beta expression preincubated for 1 hr followed by dsDNA stimulation for 12 hrs by luciferase reporter gene assay B 7.22 pIC50 60 nM IC50 PLoS One (2017) 12: e0184843-null [PMID:28934246]
inhibitor of nuclear factor kappa B kinase subunit epsilon/Inhibitor of nuclear factor kappa B kinase epsilon subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3529] [GtoPdb: 2040] [UniProtKB: Q14164]
ChEMBL Inhibition of IKK epsilon (unknown origin) B 7.39 pIC50 41 nM IC50 J Med Chem (2022) 65: 893-921 [PMID:33539089]
GtoPdb - - 7.39 pIC50 41 nM IC50 J Biol Chem (2009) 284: 14136-46 [PMID:19307177]
ChEMBL Inhibition of recombinant full length human C-terminal GST-tagged IKKepsilon expressed in baculovirus expression system using biotin-labelled Ahx-GDEDFSSFAEPG peptide as substrate preincubated with enzyme for 15 mins followed by substrate addition and further incubated for 30 mins in presence of 10 uM of ATP by TR-FRET assay B 7.74 pIC50 18 nM IC50 J Med Chem (2020) 63: 601-612 [PMID:31859507]
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 8.3 pIC50 5 nM IC50 J Med Chem (2021) 64: 2-25 [PMID:33356242]
pyruvate dehydrogenase kinase 1/Pyruvate dehydrogenase kinase isoform 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4766] [GtoPdb: 2915] [UniProtKB: Q15118]
ChEMBL Inhibition of recombinant PDK1 (unknown origin) using PDK1tide substrate incubated for 7 mins B 7.19 pIC50 65 nM IC50 Bioorg Med Chem (2015) 23: 5483-5488 [PMID:26275681]
TANK binding kinase 1/Serine/threonine-protein kinase TBK1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5408] [GtoPdb: 2237] [UniProtKB: Q9UHD2]
ChEMBL Binding affinity to TBK1 in human Ramos cell lysate incubated for 45 mins by kinobeads based assay B 6.8 pKd 158.49 nM Kd ACS Med Chem Lett (2019) 10: 780-785 [PMID:31097999]
ChEMBL Binding affinity to phosphorylated TBK1 in calyculin A stimulated human Ramos cell lysate incubated for 45 mins by kinobeads based assay B 7.4 pKd 39.81 nM Kd ACS Med Chem Lett (2019) 10: 780-785 [PMID:31097999]
ChEMBL Binding affinity to TBK1 in human HEK293/K562/placenta/HepG2 cell lysate mixture incubated for 45 mins by kinobeads based assay B 7.7 pKd 19.95 nM Kd ACS Med Chem Lett (2019) 10: 780-785 [PMID:31097999]
ChEMBL Inhibition of recombinant full length human N-terminal His-tagged TBK1 using biotin-labelled Ahx-GDEDFSSFAEPG peptide as substrate preincubated with enzyme for 15 mins followed by substrate addition and further incubated for 30 mins in presence of 1 mM of ATP by TR-FRET assay B 7.35 pIC50 45 nM IC50 J Med Chem (2020) 63: 601-612 [PMID:31859507]
ChEMBL Inhibition of recombinant full length human N-terminal His-tagged TBK1 using biotin-labelled Ahx-GDEDFSSFAEPG peptide as substrate preincubated with enzyme for 15 mins followed by substrate addition and further incubated for 30 mins in presence of 10 uM of ATP by TR-FRET assay B 8.1 pIC50 8 nM IC50 J Med Chem (2020) 63: 601-612 [PMID:31859507]
GtoPdb - - 8.22 pIC50 6 nM IC50 J Biol Chem (2009) 284: 14136-46 [PMID:19307177]
ChEMBL Competitive inhibition of TBK1 (unknown origin) by immunoprecipitation method B 8.22 pIC50 6 nM IC50 Medchemcomm (2019) 10: 1999-2023 [PMID:32206239]
ChEMBL Inhibition of TBK1 (unknown origin) B 8.22 pIC50 6 nM IC50 J Med Chem (2022) 65: 893-921 [PMID:33539089]
unc-51 like autophagy activating kinase 1/Serine/threonine-protein kinase ULK1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6006] [GtoPdb: 2271] [UniProtKB: O75385]
ChEMBL Inhibition of SUMO-tagged ULK1 (unknown origin) kinase domain expressed in KRX cells using [32P]-gamma-ATP and myelin basic protein substrate incubated for 7 mins B 7.06 pIC50 87 nM IC50 Bioorg Med Chem (2015) 23: 5483-5488 [PMID:26275681]
unc-51 like autophagy activating kinase 2/Serine/threonine-protein kinase ULK2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5435] [GtoPdb: 2272] [UniProtKB: Q8IYT8]
ChEMBL Inhibition of SUMO-tagged ULK2 (unknown origin) kinase domain expressed in KRX cells using [32P]-gamma-ATP and myelin basic protein substrate incubated for 7 mins B 6.51 pIC50 310 nM IC50 Bioorg Med Chem (2015) 23: 5483-5488 [PMID:26275681]
protein kinase A in Human [GtoPdb: 1694]
GtoPdb - - 6.08 pIC50 840 nM IC50 J Biol Chem (2005) 280: 19867-74 [PMID:15772071]
kinase insert domain receptor in Human [GtoPdb: 1813] [UniProtKB: P35968]
GtoPdb - - 5.96 pIC50 1100 nM IC50 J Biol Chem (2005) 280: 19867-74 [PMID:15772071]
aurora kinase B in Human [GtoPdb: 1937] [UniProtKB: Q96GD4]
GtoPdb - - 7.51 pIC50 31 nM IC50 J Biol Chem (2009) 284: 14136-46 [PMID:19307177]
cyclin dependent kinase 2 in Human [GtoPdb: 1973] [UniProtKB: P24941]
GtoPdb - - 6.37 pIC50 430 nM IC50 J Biol Chem (2005) 280: 19867-74 [PMID:15772071]
checkpoint kinase 1 in Human [GtoPdb: 1987] [UniProtKB: O14757]
GtoPdb - - 6.29 pIC50 510 nM IC50 J Biol Chem (2005) 280: 19867-74 [PMID:15772071]
glycogen synthase kinase 3 beta in Human [GtoPdb: 2030] [UniProtKB: P49841]
GtoPdb - - 6.21 pIC50 620 nM IC50 J Biol Chem (2005) 280: 19867-74 [PMID:15772071]

ChEMBL data shown on this page come from version 34:

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]