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 33:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]