TBK1 PROTAC 3i [Ligand Id: 11661] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL4227907
  • 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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  • TANK binding kinase 1/Serine/threonine-protein kinase TBK1 in Human [ChEMBL: CHEMBL5408] [GtoPdb: 2237] [UniProtKB: Q9UHD2]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
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 Binding affinity to human full length wild-type IKKepsilon expressed in mammalian expression system B 7.15 pKd 70 nM Kd J Med Chem (2018) 61: 583-598 [PMID:28692295]
ChEMBL Inhibition of IKKepsilon (unknown origin) B 8.06 pIC50 8.7 nM IC50 J Med Chem (2018) 61: 583-598 [PMID:28692295]
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 human full length wild-type TBK1 expressed in mammalian expression system B 8.34 pKd 4.6 nM Kd J Med Chem (2018) 61: 583-598 [PMID:28692295]
GtoPdb BInding affinity for the TBK1 binding moeity of the PROTAC - 8.89 pKd 1.3 nM Kd J Med Chem (2018) 61: 583-598 [PMID:28692295]
ChEMBL Inhibition of TBK1 (unknown origin) B 8.89 pIC50 1.3 nM IC50 J Med Chem (2018) 61: 583-598 [PMID:28692295]
von Hippel-Lindau tumor suppressor/von Hippel-Lindau disease tumor suppressor/Elongin-C/Elongin-B/HIF1A in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4296117] [GtoPdb: 3204] [UniProtKB: P40337, Q15369, Q15370, Q16665]
ChEMBL Inhibition of His-tagged VHL/elongin B/elongin C (unknown origin) interaction with HIF1alpha preincubated for 10 mins followed by fluorescin labelled HIF1alpha peptide addition measured after 2 hrs by fluorescence polarization assay B 5.31 pIC50 4900 nM IC50 J Med Chem (2018) 61: 583-598 [PMID:28692295]

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]