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BAY-549

2D structure
Target ROCK1  ROCK2 
Targeted domain Kinase domain (active site)
Mode of action Inhibitor (type 1, ATP competitive)
Control BAY-4900
Recommended cellular usage concentration ≤ 100 nM
In vivo use Yes
Synonyms TC-S 7001, Azaindole-1, ROCK-IN-2
Donated by Bayer


Probe criteria


Inhibitor/agonist potency: goal is < 100 nM (IC50, Kd>/sub>) Surpasses criterion: High potency in biochemical assay: ROCK1 (h) (IC50 = 0.6 nM), ROCK2 (h) (IC50 = 1.1 nM), ROCK2 (m) (IC50 = 2.4 nM), ROCK2 (r) (IC50 = 0.8 nM)
Selectivity within target family: > 30-fold Surpasses criterion: selectivity >250 fold vs all other kinases (Upstate panel @ 10 µM closest hits: NTRK1 IC50 = 252 nM, FLT3 IC50 = 303 nM)
Selectivity outside target family LeadProfilingScreen closest off-targets @ 10 µM: SLC6A3 (DAT, human) IC50 = 0.4 µM
Clean PDSP scan except for activity on OPRK1 (Ki = 187.33 nM) and SIGMAR1 (Ki = 6765.5 nM)
On target cell activity for cell-based targets: goal is < 1 µM IC50/EC50 Surpasses criterion: Mechanistic tissue assay (Arteria Saphena rabbit): IC50 = 65 nM
On target cell activity for secreted targets: appropriate alternative such as mouse model or other mechanistic biological assay Surpasses criterion: Suitable pharmacokinetic profile for in vivo studies; in vivo efficacy in experimental animal models (rat, dog)
Control compound (100 times less potent than the probe) Surpasses criterion: ROCK2 (h): IC50 = 17.7 nM; Clean PDSP scan except for activity on OPRK1 (Ki = 390.57 nM)