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. Author manuscript; available in PMC: 2014 Feb 28.
Published in final edited form as: J Med Chem. 2013 Feb 12;56(4):1573–1582. doi: 10.1021/jm3013882

Table 1.

Structure activity of phenylheterocyclic N-terminal Partial Ligand Alternatives

graphic file with name nihms445567u1.jpg
SCCP ID R1 R2 R3 R4 W X Y Z CDK2/cyclin A
IC50 (μM)		 CDK4/cyclin D1
IC50 (μM)
Triazole 5843 H H H H N N N C 16.2±3 49.2 ±7.60
5773 Cl H Cl CH3 N N N C 4.0±0.6 27.3 ± 3.40
5774 H Cl H CH3 N N N C 11.5±3.3 12.0 ± 2.06
5906 Cl H H CH3 N N N C 5.7±0.99 26.5±7.49
5907 CH3 H H CH3 N N N C 13.8±1.13 51.05±16.05
Pyrazole 5762 H H H CH3 N N C C 40.3±6.5 54.2 ± 3.05
5763 Cl H Cl CH3 N N C C 21.8±13.7 >100
5764 Cl H H CH3 N N C C 11.9±2.0 70.3 ±12.79
5771 F H H CH3 N N C C 29.6±12.2 65.9±6.60
5765 H Cl H CH3 N N C C 33.7±8.1 54.7 ±20.43
5766 OCH3 H H CH3 N N C C 64.1±4.2 >100
5767 H OCH3 H CH3 N N C C >180 >180
Pyrrole 5776 H Cl H H N C C C >180 >180
5775 Cl H Cl H N C C C >180 >180
Furan 5768 Cl H Cl H C O C C >180 >180
5769 Cl H H H C O C C >180 >180
Imidazole 5760 H H H CH3 C N C N >180 >180
5852 F H H H C N C N 34.3±0.6 68.5 ±14.84
Thiazole 5583 H Cl H H C N C S >180 >180