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BAY-826 | Inhibitor of TIE1, TEK, DDR1, DDR2
RATINGS:
Cellular Use: (1 reviews)

In Model Organisms: (1 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
TIE1
  • Kd:0.9 nM
  • IC 50:2.7 nM
TEK
  • Kd:1.6 nM
  • IC 50:0.45 nM
  • IC 50:0.7 nM
DDR1
  • Kd:0.4 nM
  • IC 50:3.0 nM
DDR2
  • Kd:1.3
  • IC 50:4.5 nM
~13 nM

Selectivity

In Vitro Selectivity Assessment
Selectivity Assessment Description:
Selective within the kinome, closest off-targets in cells: STK10 (4.5 µM), EPHG6 (4.5 µM), LYN (10 µ ...
In Cell Selectivity Assessment
Selectivity Assessment Description:
LeadProfilingScreen: no inhibition below 1 µM

Potency
Cellular
In Vitro

TIE1

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1111/jnc.13877

TEK

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1111/jnc.13877

DDR1

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1111/jnc.13877

DDR2

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1111/jnc.13877

In Vivo Validations

Rat
Dose: 25, 50, 100 mg/Kg
Route of delivery: Oral
Systemic clearance: 1.91 L/h/Kg

DOI Reference: 10.1111/jnc.13877

Negative Control Compounds

BAY-309
Notes: BAY-309: > 10,000 times less in biochemical assay (TEK (TIE-2)); >100 times less in cellular assay (DDR1/2, STK10, EPHB6); for Tie-1 is only about 30 fold less potent; NanoBRET assay (SGC Frankfurt): TIE1 (EC50 = 2.6 ± 0.55 µM, n=3), TEK (EC50 = 3.3 ± 0.34 µM, n= 3), DDR1 (EC50 = 200 ± 32 nM, n=3), DDR2 (EC50= 2.7 ± 1.2 µM, n=3), STK10 (EC50 = 3.2 ± 0.44 µM, n= 3), EPHB6 (EC50 =27 ± 5.8 µM, n= 3), LYN (EC50 > 50 µM, n= 3) Shows off-target activity in the PDSP scan: Closest hits are GABAA/PBR (pKi = 8.03) and TMEM97 (Sigma2) (pKi = 6.10).

Orthogonal Probes def

2-MT 63
DDR1-IN-1
SR-302

Chemical Information

Molecular Formula C26H19F5N6OS
SMILEs Cc1cc(C)c(-n2ccn3nc(-c4cccnc4)cc23)cc1NC(=O)c1cc(C#N)cc(S(F)(F)(F)(F)F)c1
InChI InChI=1S/C26H19F5N6OS/c1-16-8-17(2)24(36-6-7-37-25(36)13-23(35-37)19-4-3-5-33-15-19)12-22(16)34-26(38)20-9-18(14-32)10-21(11-20)39(27,28,29,30)31/h3-13,15H,1-2H3,(H,34,38)
Molecular weight 558.13 Da
AlogP 7.585220000000003
HBond acceptors 7
HBond donors 1
Atoms 58

Vendors

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Expert Reviews

by SERP
(on 15 Jun 2020)
Cellular Use Rating
In Model Organisms
TIE-1, DDR1, DDR2 and STK10/LOK are reported as the only kinases of 456 tested within 4x of TIE-2 potency. Percent inhibition at 100 nM for the entire panel of kinases appears to have been disclosed...
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