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ChEMBL ligand: CHEMBL577784 (BX-795) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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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]