. 2016 Aug 9;7(10):884–889. doi: 10.1021/acsmedchemlett.6b00188

Table 2. sPLA₂ Potency and Ligand Efficiencies for Compounds 2–6^a.

Results are mean of at least two experiments. Experimental errors within 20% of value.

Calculated as plasma sPLA2 IC₅₀ (μM) × compound’s unbound fraction in human plasma (F_u)/100. F_u = 100 – human protein binding(%)

Ligand efficiency, LE (kcal/mol/HAC), calculated as −RT ln(sPLA₂-IIa IC₅₀)/heavy atom count. Ligand lipophilicity efficiency (LLE) calculated as pIC₅₀ (sPLA₂-IIa) – logD.

Not active at maximum tested concentration (25 μM).

Not determined.

Table 2. sPLA2 Potency and Ligand Efficiencies for Compounds 2–6a.

Table 2. sPLA₂ Potency and Ligand Efficiencies for Compounds 2–6^a.