Compound,SMILES,In vitro HDAC6 IC50 (𝝁M),"HDAC6
fold-selectivity",In cellulo IC50 (𝝁M) in MV4-11,In cellulo IC50 (𝝁M) in MRC-9,,,,
1,FC1=C(F)C(C(NCC2=CC=C(C(NO)=O)C=C2)=O)=C(F)C(F)=C1F,0.006,36.32,1.85,>50,,,,
2,FC1=C(F)C(S(NCC2=CC=C(C(NO)=O)C=C2)(=O)=O)=C(F)C(F)=C1F,0.389,2.57,11.82,>25,,,,
3,FC1=C(F)C(S(N(C)CC2=CC=C(C(NO)=O)C=C2)(=O)=O)=C(F)C(F)=C1F,0.002,71.5,1.01,>30,,,,
4,FC1=C(F)C(S(N(C(C)C)CC2=CC=C(C(NO)=O)C=C2)(=O)=O)=C(F)C(F)=C1F,0.004,163.3,0.51,>10,,,,
5,FC1=C(F)C(S(N(C2CC2)CC3=CC=C(C(NO)=O)C=C3)(=O)=O)=C(F)C(F)=C1F,0.0009,32.2,0.31,>20,,,,
6,FC1=C(F)C(S(N(C2CC2)CC3=CC=C(C(NO)=O)C=C3)(=O)=O)=C(F)C(F)=C1,0.01,37.8,6.14,>15,,,,
7,O=S(C1=CC=C(F)C=C1)(N(C2CC2)CC3=CC=C(C(NO)=O)C=C3)=O,0.011,25.5,8.69,>50,,,,
8,O=S(C1=CC(F)=C(F)C(F)=C1)(N(C2CC2)CC3=CC=C(C(NO)=O)C=C3)=O,0.014,19.5,5.98,>25,,,,
9,O=S(C1=C(F)C=C(F)C=C1F)(N(C2CC2)CC3=CC=C(C(NO)=O)C=C3)=O,0.008,39.4,8.94,>20,,,,
10,FC1=C(F)C(S(N(C2CC2)CC3=CC=CC(C(NO)=O)=C3)(=O)=O)=C(F)C(F)=C1F,0.488,NA,1.9,>50,,,,
11,ClC1=C(F)C(S(N(C2CC2)CC3=CC=C(C(NO)=O)C=C3)(=O)=O)=C(F)C(Cl)=C1F,0.015,14.3,0.67,>50,,,,
12,ClC1=C(F)C(S(N(C2CC2)CC3=CC=C(C(NO)=O)C=C3)(=O)=O)=C(F)C=C1F,0.009,22.3,0.74,>20,,,,
13,FC1=C(F)C(S(N(C2CC2)CC3=CC=C(C(NO)=O)C=C3)(=O)=O)=C(F)C(F)=C1Cl,0.07,14.3,1.38,>30,,,,
14,FC1=C(F)C(S(N(C2CC2)CC3=CC=C(C(NO)=O)C=C3)(=O)=O)=CC(F)=C1F,0.0085,39.29,0.42,>20,,,,
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