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. Author manuscript; available in PMC: 2020 Oct 22.
Published in final edited form as: J Comput Aided Mol Des. 2013 Dec 1;27(12):1037–1049. doi: 10.1007/s10822-013-9695-x

Table 3.

Top1 inhibition of selected compounds

List Compound CAS-
RNa 		Top1
Inhibitionb 		Cytotoxic activityc
LUDI1 NSC 68788 6949-30-0 + No data
NSC 114378 958835-11-5 + No data
NSC 319992 200263-20-3 0 No data
NSC 356818 906625-92-1 0 No data
NSC 371684 6298-31-3 0 No data
NSC 649351 133476-19-4 0 GI50 between 2.18 and 100 μM
LUDI2 NSC 34237 17051-80-8 ++ No data
NSC 83217 3905-92-8 + GI50 between 52.4 and 100 μM
NSC 162537 907177-90-6 + No data
NSC 302569 904222-18-0 + No data
NSC 359465 677334-31-5 + No data
NSC 372074 908826-95-9 ++ GI50 between 10 and 100 μM
a

Chemical Abstracts Registration Number

b

Top1 inhibition ranking: 0 (no activity); +(20–50 % of 1 μM CPT activity); ++(50–75 % of 1 μM CPT activity)

c

Publicly available data (http://dtp.nci.nih.gov) measured in the US National Cancer Institute 60 human tumour cell line anticancer drug screen [38]; GI50 corresponds to the concentration of the drug which results in a 50 % growth inhibition