Table 7. Bioassay Promiscuity Analysis of Thiol-Reactive Chemotypes in an Industrial HTS Setting^d.

^aStructure annotations: A, any atom; ns, number of substituents (e.g., “2s”); nr, number of connected ring bonds (e.g., “2r”); X, halogen.

^bN_data designates the subset of compounds for which a pBSF score had been derived. This is dependent on the availability of HTS screening data.

^cExpected incidence of anomalous binders is 6% (averaged over all compounds).

^dObserved fractions of frequent hitters for structural classes (chemotypes). Note only biochemical assay data, and not cell-based assay data, were used to derive the frequent hitter score.