Compound_ID,SMILES,IC50 of HDAC1,IC50 of HDAC2,IC50 of HDAC3,IC50 of HDAC6,EC50 OF MV4-11
12a,CC1=C(CCN(C(OC(C)(C)C)=O)CC2=CC=C(/C=C/C(NNCCC)=O)C=C2)C3=CC=CC=C3N1,180.9,1298,16.76,">50,000",
13a,CC1=C(CCNCC2=CC=C(/C=C/C(NNCCC)=O)C=C2)C3=CC=CC=C3N1.FC(F)(C(O)=O)F,5.17,49.5,0.28,">50,000",15.35nM
15a,CC1=C(CCN(C(OC(C)(C)C)=O)CC2=CC=C(C(NNCCC)=O)C=C2)C3=CC=CC=C3N1,28.84,278.6,12.59,">50,000",
15b,CC1=C(CCN(C(OC(C)(C)C)=O)CC2=CC=CC(C(NNCCC)=O)=C2)C3=CC=CC=C3N1,2524,> 5000,> 5000,">50,000",
15c,O=C(NNCCC)C(C=C1)=CC=C1CN(C(OC(C)(C)C)=O)CC2=CC=CC=C2,216.5,579.3,78.14,">50,000",
16a,CC1=C(CCNCC2=CC=C(C(NNCCC)=O)C=C2)C3=CC=CC=C3N1.FC(F)(C(O)=O)F,29.43,107.5,19.94,">50,000",81.64nM
16b,CC1=C(CCNCC2=CC=CC(C(NNCCC)=O)=C2)C3=CC=CC=C3N1.FC(F)(C(O)=O)F,1674,4942,673.9,">50,000",7696nM
16c,O=C(NNCCC)C(C=C1)=CC=C1CNCC2=CC=CC=C2.FC(F)(C(O)=O)F,87.98,441.3,96.71,">50,000",172.6nM
16d,O=C(NNCCC)C(C=C1)=CC=C1NCC2=CC=CC=C2,15.8,67.48,6.12,">50,000",
24a,O=C(NC1=CC=C(C(NNCCC)=O)C=C1)C2=CC=CC=C2,93.05,474.1,48.75,">50,000",
24b,O=C(NNCCC)C(C=C1)=CC=C1OCC2=CC=CC=C2,56.32,174.6,24.82,">50,000",
13b,CC1=C(CCNCC2=CC=CC(C(NNCCN)=O)=C2)C3=CC=CC=C3N1.FC(F)(C(O)=O)F,9842,>10000,5241,">50,000",
13c,CC1=C(CCNCC2=CC=C(/C=C/C(NNCCC#N)=O)C=C2)C3=CC=CC=C3N1.FC(F)(C(O)=O)F,58.12,172,34.82,">50,000",
13d,CC1=C(CCNCC2=CC=C(/C=C/C(NNCCC(OC)=O)=O)C=C2)C3=CC=CC=C3N1.FC(F)(C(O)=O)F,1089,4214,309.7,">50,000",
26a,CC1=C(CCNCC2=CC=C(/C=C/C(NN(C)C)=O)C=C2)C3=CC=CC=C3N1.FC(F)(C(O)=O)F,11000,12930,996.4,">50,000",
26b,FC(F)(C([O-])=O)F.CC1=C(CC[NH2+]CC2=CC=C(/C=C/C(NN3CCCC3)=O)C=C2)C4=CC=CC=C4N1,8599,>10000,3091,">50,000",
26c,CC1=C(CC[NH2+]CC2=CC=C(/C=C/C(NN3CCCCC3)=O)C=C2)C4=CC=CC=C4N1.FC(F)(C([O-])=O)F,>10000,>10000,>10000,">50,000",
28a,CC1=C(CCNCC2=CC=C(/C=C/C(NN(CCC)CC)=O)C=C2)C3=CC=CC=C3N1.FC(F)(C(O)=O)F,2925,8071,550.1,">50,000",
28b,CC1=C(CCNCC2=CC=C(/C=C/C(NN(CCC)CCC)=O)C=C2)C3=CC=CC=C3N1.FC(F)(C(O)=O)F,412.8,1366,25.19,">50,000",1054nM
28c,CC1=C(CCNCC2=CC=C(/C=C/C(NN(CCC)CCCC)=O)C=C2)C3=CC=CC=C3N1.FC(F)(C(O)=O)F,209.7,3222,229.4,">50,000",
28d,CC1=C(CCNCC2=CC=C(/C=C/C(NN(CCC)CCCCC)=O)C=C2)C3=CC=CC=C3N1.FC(F)(C(O)=O)F,381.5,7316,321.1,">50,000",
28e,CC1=C(CCNCC2=CC=C(/C=C/C(NN(CCC)CCCCCC)=O)C=C2)C3=CC=CC=C3N1.FC(F)(C(O)=O)F,2880,9835,143.2,">50,000",
30,CC1=C(CCNCC2=CC=C(/C=C/C(NN(CCCO)CCCO)=O)C=C2)C3=CC=CC=C3N1.FC(F)(C(O)=O)F,>10000,>10000,>10000,">50,000",