Compound,SMILES,IC50 Sirt2 [µM],IC50 HDAC6 [µM]
21,O=C(CSC1=NC(C)=CC(C)=N1)NC2=NC=C(CC3=CC=CC(C(NO)=O)=C3)S2,11.5 ± 0.04,0.15 ± 0.01
22,O=C(CSC1=NC(C)=CC(C)=N1)NC2=NC=C(CC3=CC=C(C(NO)=O)C=C3)S2,15% @ 10 µM,0.011 ± 0.001
25,NC1=NC=C(CC2=CC=CC(C(OCC)=O)=C2)S1,,
26,NC1=NC=C(CC2=CC=C(C(OCC)=O)C=C2)S1,,
27,O=C(CCl)NC1=NC=C(CC2=CC=CC(C(OCC)=O)=C2)S1,,
28,O=C(CCl)NC1=NC=C(CC2=CC=C(C(OCC)=O)C=C2)S1,,
29,O=C(CSC1=NC(C)=CC(C)=N1)NC2=NC=C(CC3=CC=CC(C(OCC)=O)=C3)S2,,
30,O=C(CSC1=NC(C)=CC(C)=N1)NC2=NC=C(CC3=CC=C(C(OCC)=O)C=C3)S2,,
31,O=C(CSC1=NC(C)=CC(C)=N1)NC2=NC=C(CC3=CC=CC(OCC4=CN(CC5=CC=C(C(NO)=O)C=C5)N=N4)=C3)S2,0.56 ± 0.27,0.025 ± 0.001
32,O=C(CSC1=NC(C)=CC(C)=N1)NC2=NC=C(CC3=CC=CC(OCC4=CN(CCCCC(NCC5=CC=C(C(NO)=O)C=C5)=O)N=N4)=C3)S2,0.15 ± 0.01,0.042 ± 0.007 
33,O=C(CSC1=NC(C)=CC(C)=N1)NC2=NC=C(CC3=CC=CC(OCC4=CN(CCCCC(N(CCCC)CC5=CC=C(C(NO)=O)C=C5)=O)N=N4)=C3)S2,0.32 ± 0.11,0.043 ± 0.003
34,O=C(OCC)C(C=C1)=CC=C1CN=[N+]=[N-],,
36,O=C(CSC1=NC(C)=CC(C)=N1)NC2=NC=C(CC3=CC=CC(OCC4=CN(CC5=CC=C(C(OCC)=O)C=C5)N=N4)=C3)S2,,
37,NCC1=CC=C(C(OCC)=O)C=C1,,
38,O=C(OCC)C(C=C1)=CC=C1CNC(CCCCN=[N+]=[N-])=O,,
39,O=C(CSC1=NC(C)=CC(C)=N1)NC2=NC=C(CC3=CC=CC(OCC4=CN(CCCCC(NCC5=CC=C(C(OCC)=O)C=C5)=O)N=N4)=C3)S2,,
40,O=C(OCC)C(C=C1)=CC=C1CNCCCC,,
42,O=C(OCC)C(C=C1)=CC=C1CN(CCCC)C(CCCCN=[N+]=[N-])=O,,
43,O=C(CSC1=NC(C)=CC(C)=N1)NC2=NC=C(CC3=CC=CC(OCC4=CN(CCCCC(N(CCCC)CC5=CC=C(C(OCC)=O)C=C5)=O)N=N4)=C3)S2,,
44,O=C(CSC1=NC(C)=CC(C)=N1)NC2=NC=C(CC3=CC=CC(OCC4=CN(CCOCCOCCOCCOCCC(NC5=CC=C(C(NCC6=CC=C(C(NO)=O)C=C6)=O)C=C5)=O)N=N4)=C3)S2,0.48 ± 0.04,0.0096 ± 0.0003
45,O=C(CSC1=NC(C)=CC(C)=N1)NC2=NC=C(CC3=CC=CC(OCC4=CN(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(NC5=CC=C(C(NCC6=CC=C(C(NO)=O)C=C6)=O)C=C5)=O)N=N4)=C3)S2,0.54 ± 0.01,0.017 ± 0.001
46,O=C(CSC1=NC(C)=CC(C)=N1)NC2=NC=C(CC3=CC=CC(OCC4=CN(CCOCCOCCOCCOCCC(NC(C=C5)=CC=C5C(NCCCCCCC(NO)=O)=O)=O)N=N4)=C3)S2,0.48 ± 0.07,0.0050 ± 0.0005
55,CC(NCC1=CC=C(C(NO)=O)C=C1)=O,n.t.,0.65 ± 0.04
56,O=C(NCC1=CC=C(C(NO)=O)C=C1)C2=CC=CC=C2,n.t.,0.018 ± 0.001
57,O=C(N(CCCC)CC1=CC=C(C(NO)=O)C=C1)CCCC,n.i.,0.032 ± 0.004
58,CC(NCC1=CC=C(C(OCC)=O)C=C1)=O,,
59,O=C(NCC1=CC=C(C(OCC)=O)C=C1)C2=CC=CC=C2,,
60,O=C(N(CCCC)CC1=CC=C(C(OCC)=O)C=C1)CCCC,,