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. Author manuscript; available in PMC: 2012 Jan 6.
Published in final edited form as: ChemMedChem. 2010 Aug 2;5(8):1259–1271. doi: 10.1002/cmdc.201000157

Table 1. Confirmed lead structures inhibiting EtCRK2.

Structure Name Structure class IC50 [μM] Ki [μM]
HsCDK2 EtCRK2 HsCDK2 EtCRK2
graphic file with name ukmss-40202-t0007.jpg Indirubin-5-sulfonate Oxindole 0.23±0.11 0.67±0.19 0.08±0.01 0.17±0.03
graphic file with name ukmss-40202-t0008.jpg BES062021 Rhodanine-oxindole 26±19 23±14 17±8 16±9
graphic file with name ukmss-40202-t0009.jpg BES143551 Naphtolactame 12±7 36±8 2±1 6±2
graphic file with name ukmss-40202-t0010.jpg BES241415 Benzimidazole-carbonitrile 41±13 61±27 41±13 83±29
graphic file with name ukmss-40202-t0011.jpg BES252034 Benzimidazole 35±3 15±3 8±2 8±2

In silico hits were verified against EtCRK2 and HsCDK2. Due to the high sequence similarity between HsCDK2 and GgCDK3, HsCDK2 served as model for GgCDK3, which was not available. Indirubin-5-sulfonate[33] was used as standard HsCDK2 inhibitor. Four confirmed leads have been identified belonging to the structural class rhodanine-oxindoles, naphtolactames, benzimidazole-carbonitriles and benzimidazoles. Results are expressed as mean IC50 and mean Ki values ± SD in three to four different experiments (n=3-4).