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TBK1 PROTAC 3i | TBK1 PROTAC 3i : Degrader (PROTAC) of TBK1
RATINGS:
Cellular Use: (3 reviews)

In Model Organisms: (0 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
TBK1
  • KD:4.6 nM
  • DC50, Dmax:12 nM; 96 %
Degrader (PROTAC)
up to 100 nM
up to 1 uM

Selectivity

In Cell Selectivity Assessment
Potency Assay Off-Target:
Western Blot Assay to Determine TBK1/IKKε Degradation and IRF3 Phosphorylation
Selectivity Assessment Description:
PROTAC 3i had no effect on the levels of IKKε, at concentrations of more than 50-fold above its T ...

Potency
Cellular
In Vitro

TBK1

Mode of Action: Degrader (PROTAC)

Structure-Activity-Relationship data available? No

Negative Control Compounds

TBK1 control PROTAC 4

Orthogonal Probes def

BAY-985

Chemical Information

Molecular Formula C53H74BrN9O9S
SMILEs Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCCOCCCCOCCCOc2ccc(Nc3ncc(Br)c(NCCCN(C)C(=O)C4CCC4)n3)cc2)C(C)(C)C)cc1
InChI InChI=1S/C53H74BrN9O9S/c1-36-46(73-35-58-36)38-16-14-37(15-17-38)31-56-49(66)44-30-41(64)33-63(44)51(68)47(53(2,3)4)60-45(65)34-71-28-10-26-69-24-6-7-25-70-27-11-29-72-42-20-18-40(19-21-42)59-52-57-32-43(54)48(61-52)55-22-9-23-62(5)50(67)39-12-8-13-39/h14-21,32,35,39,41,44,47,64H,6-13,22-31,33-34H2,1-5H3,(H,56,66)(H,60,65)(H2,55,57,59,61)/t41-,44+,47-/m1/s1
Molecular weight 1091.45 Da
AlogP 7.2732200000000065
HBond acceptors 18
HBond donors 5
Atoms 147

References

Publications

    Cross References

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    Expert Reviews

    by SERP
    (on 3 Dec 2020 )
    Cellular Use Rating
    A potent VHL-based PROTAC molecule for TBK1 (DC50 = 12 nM & Dmax = 96%). SAR with the TBK1 binding moiety, linker and VHL binding moiety were demonstrated in the paper. Most TBK1 and VHL target engagement...
    by SERP
    (on 8 Dec 2020 )
    Cellular Use Rating
    TBK1 PROTAC 3i meets most of the chemical probe criteria for a degrader. The researchers have shown evidence of binding to VHL using an FP assay and that an epimeric negative control compound is unable...
    by SERP
    (on 6 May 2021 )
    Cellular Use Rating
    ( The reviewer did not leave any comments )
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