Donated Chemical Probes

Target	Complex I quinone binding site (NDUFS2)
Targeted domain	Quinone binding site (MT-ND1, NDUFS2/7)
Mode of action	Inhibitor
Control	BAY-070
Recommended cellular usage concentration	0.1 - 1 µM
In vivo use	yes
Donated by	Bayer

Inhibitor/agonist potency: goal is < 100 nM (IC₅₀, K_D)	Not applicable
Selectivity within target family: > 30-fold	Surpasses criterion: Analog of BAY-179 shows selectivity against other complexes of the respiratory chain (Bio-chemical bovine OxPhos activity assay: > 30 µM for Complex 2, 3, 4 and 5).
Selectivity outside target family	Surpasses criterion: Eurofins-Cerep GPCR-Panel: Closest off-target at 10 µM is HTR2B (antagonist effect) with 73.5% inhibition. Selectivity > 500 fold against numerous kinases tested. Closest off-targets in the PDSP scan are HTR2B (Ki = 558.19 nM), TMEM97 (Ki = 1118.32 nM), SIGMAR1 (Ki = 1179.84 nM), ADRA2C (Ki = 3499.92 nM)
On target cell activity for cell-based targets: goal is < 1 µM IC₅₀/EC₅₀	Surpasses criterion: Active in cellular mechanistic assay demonstrating cellular target engagement. Proliferation assays: IC₅₀ = 79 nM (H1299 (human lung; Cellular ATP kit HTS)); IC₅₀ = 33 nM (H1299 (human lung; CellTiter-Glo ATP));
Control compound (100 times less potent than the probe)	Surpasses criterion: BAY-070 inactive (IC₅₀ >20 μM) in cellular assay. Off-targets in the PDSP scan are TMEM97 (Ki = 151.89 nM), SIGMAR1 (Ki = 1286.45 nM) and HTR2B (Ki =1582.15 nM)