Compound _ID,SMILES,IC50 (nM)
1,O=C(NCCC1=CCCCC1)NC2=CC=C(N=NS3)C3=C2,2500
2,O=C(NCC(C1=CC=CC=C1)=O)NC2=CC=C(N=NS3)C3=C2,480
3,O=C(NCC(N1CCCCC1)=O)NC2=CC=C(N=NS3)C3=C2,134 ± 5
4,O=C(NCC(N1CCCC1)=O)NC2=CC3=CC=NC=C3C=C2,19 ±1
5,O=C(NCC(N1CCCCC1)=O)NC2=CC=C(C=NC=C3)C3=C2,84 ± 5
6,O=C(NCC(N1CCCCC1)=O)NC2=CC=C(C(OC3)=O)C3=C2,757 ± 1
7,O=C(NCC(N1CCCCC1)=O)NC2=CC=C(C=NC=N3)C3=C2,967 ± 115
8,O=C(NCC(N1CCCCC1)=O)NC2=CC=C(C=CN=C3)C3=C2,>2000
9,O=C(NCCC1=CCCCC1)NC2=CC=C(C=NC=C3)C3=C2,421 ± 29
10,O=C(NCCC1CCCCC1)NC2=CC=C(C=NC=C3)C3=C2,540 ± 541
11,O=C(NCCC1CCCC1)NC2=CC=C(C=NC=C3)C3=C2,295 ± 43
12,O=C(NCCC1CC1)NC2=CC=C(C=NC=C3)C3=C2,>8000
13,O=C(NCCC1=CC=CC=C1)NC2=CC=C(C=NC=C3)C3=C2,833 ± 66
14,O=C(NCCC1(CN)CCCCC1)NC2=CC=C(C=NC=C3)C3=C2,291 ± 36
15,O=C(NCC(N1CCC1)=O)NC2=CC=C(C=NC=C3)C3=C2,61 ± 8
16,O=C(NCC(N1CCCCCC1)=O)NC2=CC=C(C=NC=C3)C3=C2,17 ± 2
17,O=C(NCC(N1CCC(F)(F)CC1)=O)NC2=CC=C(C=NC=C3)C3=C2,35 ±1
18,O=C(NCC(N1CCN(C)CC1)=O)NC2=CC=C(C=NC=C3)C3=C2,>1900
19,O=C(NCC(N(C)C)=O)NC1=CC=C(C=NC=C2)C2=C1,150 ± 11
20,O=C(NCC(N(CC)CC)=O)NC1=CC=C(C=NC=C2)C2=C1,114 ± 3
21,O=C(NCC(N(C)C1CCCC1)=O)NC2=CC=C(C=NC=C3)C3=C2,87 ± 5
22,O=C(NCC(N(C)OC)=O)NC1=CC=C(C=NC=C2)C2=C1,476 ± 34
23,O=C(NCC(N([H])C)=O)NC1=CC=C(C=NC=C2)C2=C1,1938 ± 95
24,O=C(NCC(N([H])C1CC1)=O)NC2=CC=C(C=NC=C3)C3=C2,158 ± 9
25,O=C(NCC(N([H])C1CCCC1)=O)NC2=CC=C(C=NC=C3)C3=C2,292 ± 23
26,O=C(NCC(N([H])C1CCCCC1)=O)NC2=CC=C(C=NC=C3)C3=C2,477 ± 5
29,O=C(NCC(N1CC(F)(F)C(F)(F)C1)=O)NC2=CC=C(C=NC=C3)C3=C2,24 ± 3
30,O=C(NCC(N1C(C)CCC1C)=O)NC2=CC=C(C=NC=C3)C3=C2,22 ± 2
31,O=C(NCC(N1[C@H](C(OC)=O)CCC1)=O)NC2=CC=C(C=NC=C3)C3=C2,166 ± 11
32,O=C(NCC(N1CC(CCC2)C2C1)=O)NC3=CC=C(C=NC=C4)C4=C3,55 ± 5
33,O=C(NCC(N1CC(C=CC=C2)=C2C1)=O)NC3=CC=C(C=NC=C4)C4=C3,>5000
34,O=C(N1C2CCC1CC2)CNC(NC3=CC=C(C=NC=C4)C4=C3)=O,46 ± 5
35,O=C(N1C2CCC1CCC2)CNC(NC3=CC=C(C=NC=C4)C4=C3)=O,22 ±4
36,O=C(NCC(N1CCCC1)=O)NC2=CC3=CC=NC=C3C=C2F,19 ± 4
37,O=C(NCC(N1CCCC1)=O)NC2=CC3=CC=NC=C3C=C2C,36 ± 6
38,O=C(NCC(N1CCCC1)=O)NC2=CC3=CC=NC(C)=C3C=C2,194 ± 8
39,O=C(NCC(N1CCCC1)=O)NC2=CC3=CC(F)=NC=C3C=C2,10 ±1
40,O=C(NCC(N1CCCC1)=O)NC2=CC3=CC=NC=C3C(Cl)=C2,19 ± 2
49,O=C(N(C)CC(N1CCCC1)=O)NC2=CC3=CC=NC=C3C=C2,2594 ± 129
50,O=C(NCC(N1CCCC1)=O)N(C)C2=CC3=CC=NC=C3C=C2,>50000
51,O=C(NCC(N1CCCC1)=O)NC2=CC3=CC=CC=C3C=C2,no inhibition