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BAY-985 | Inhibitor of TBK1, IKBKE
RATINGS:
Cellular Use: (2 reviews)

In Model Organisms: (2 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
  • IC 50:2 nM
  • IC 50:18 nM
  • IC50:312 nM
IKBKE
  • IC 50:2 nM
  • IC50:1735 nM
Inhibitor
200 nM

Selectivity

In Vitro Selectivity Assessment
Selectivity Assessment Description:
High kinase selectivity for TBK1 and IKBKE (selectivity ratio >100-fold, except for FLT3 with IC50 = ...
In Cell Selectivity Assessment
Selectivity Assessment Description:
Clean in Lead Profiling Screen (Eurofins-Panlabs)

Potency
Cellular
In Vitro

TBK1

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1021/acs.jmedchem.9b01460

IKBKE

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1021/acs.jmedchem.9b01460

In Vivo Validations

Mouse
Dose: 0.3 mg/Kg IV, up to 200 mg/Kg
Route of delivery: Intraperitoneal, Intravenous
Systemic clearance: 0.5 and 1.7 L/h/Kg

DOI Reference: 10.1021/acs.jmedchem.9b01460

Negative Control Compounds

BAY-440

Orthogonal Probes def

BX795
MRT67307
TBK1 PROTAC 3i

Chemical Information

Molecular Formula C27H30F3N9O
SMILEs C[C@H](c1ccnc(Nc2nc3ccc(-c4cc(N(C)C)ncn4)cc3[nH]2)c1)N1CCN(C(=O)CC(F)(F)F)CC1
InChI InChI=1S/C27H30F3N9O/c1-17(38-8-10-39(11-9-38)25(40)15-27(28,29)30)18-6-7-31-23(13-18)36-26-34-20-5-4-19(12-22(20)35-26)21-14-24(37(2)3)33-16-32-21/h4-7,12-14,16-17H,8-11,15H2,1-3H3,(H2,31,34,35,36)/t17-/m1/s1
Molecular weight 553.25 Da
AlogP 4.382100000000003
HBond acceptors 10
HBond donors 2
Atoms 70

Vendors

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Expert Reviews

by SERP
(on 2 Jun 2020 )
Cellular Use Rating
In Model Organisms
( The reviewer did not leave any comments )
by SERP
(on 8 Dec 2020 )
Cellular Use Rating
In Model Organisms
Take the usual care with kinase inhibitors. IC50 for TBK1 (STK family) of 2nM/30nM for ATP low [10uM]/high [1mM], 2nM for IKKE (=IKBKE, an STK), <<100 nM for YSK-4 (STE family), 123nM FLT3 (a RTK)....
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