Table 1. .

Cross-Target Queries of the UPDDI and PubChem Databases for the Bioactivity Profiles of the NSC 95397 and β-Lapachone Redox Cycling Hits From the LOPAC Set

Compound	Database	Number of Assays	Number of Active Flags	Confirmed Targets
NSC 95397 SID 400206	UPDDI	14	7	MKP-1, MKP-3, YopH, SptP, L929-zVAD and Jurkat-FADD−/− TNFα necroptosis, and MEF cell death
β-Lapachone SID 207115	UPDDI	14	7	MKP-1, MKP-3, YopH, SptP, L929-zVAD and Jurkat-FADD−/− TNFα necroptosis, and MEF cell death
NSC 95397 SID 400206	PubChem	66	26	23 NCI tumor cell growth inhibition assays and 3 NCI yeast anticancer drug screens
β-Lapachone SID 207115	PubChem	139	54	41 NCI tumor cell growth inhibition assays, 5 CYP 450 isoform inhibitor/substrate assays, NFκB, Hsp90, PGE2 receptor, TPO, and cytotoxicity against cancer cells with p53 mutations

 University of Pittsburgh Drug Discovery Targets (UPDDI). Four protein tyrosine phosphatases (PTPs) targets: mitogen-activated protein kinase phosphatases 1 (MKP-1) and 3 (MKP-3); Yersinia enterocolitica outer protein H PTP (YopH); and Salmonella typhimurium PTP (SptP). Two cell models for the induction of necroptosis; the zVAD-induced necroptosis of L929 cells (L929-zVAD), and TNFα-induced necroptosis of Jurkat-FADD^−/− cells (Jurkat-FADD^−/− TNFα). Mouse embryo fibroblasts (MEF) cell death.

 PubChem Targets include various National Cancer Institute (NCI) tumor cell growth inhibition assays and yeast anticancer drug screens. Assays for inhibitors or substrates of CYP 450 isoforms: 2C19, 3A4, 2D6, 2C9, and 1A2. NFκB signaling pathway inhibitors (NFκB), heat shock protein 90 kDa α (cytosolic) inhibitors (Hsp90), inhibitors of the EP2 prostaglandin E2 receptor (PGE₂ receptor), antagonists of the thrombopoietin (TPO) signaling pathway, and selective inhibitors of cancer cells with p53 mutations.