Table 2.

Screening results identifying inhibitors of SpHCS.

Compound Category	# of Compounds
Total compounds in primary screen	40,879
Total hits (SD >3 or % inhibition >30%)	1665
Flagged cytoxic compounds	−27a
Promiscuous compounds (SD > 3 in ≥ 10 previous screens)	−216
Maleimide containing compounds	−23
Total compounds in confirmation screen	1399 (3.4 %)
Total hits (median % inhibition > 30%)	595
Generally promiscuous compounds (> 30% inhibition in ≥ 10 previous screens)	−67
Large compounds (topological polar surface area ≥ 140 Å2)	−14
Compounds with limited availability	−18
Total compounds for counter screens	496 (1.2 %)
Sulfhydryl-reacting or MMBC-CoA quenching compounds (% inhibition ≥ 30%)	−54
Metal chelators (% inhibition < 30%)	−81
8-hydroxyquinoline containing compounds	−20
Compounds with limited availability	−3
Total compounds analyzed for dose response	338 (0.8 %)
Total hits (compounds with sigmoidal dose response curves)	266
Compounds with pAC50 values <4.5 (IC50 >31.6 μM)	−86
Compounds with Hill slope values <−2.0	−59
Compounds for follow-up studies	122 (0.3 %)

^aA minus (−) sign before the number indicates that the number of compounds eliminated from further consideration at this step.