Compound,SMILES,EC50 ELISA
4d,ClC1=CC=C(NC(C(C2=NN(C(CCC(O)=O)=O)C(C3=CC=C(F)C=C3)C2)=C4C5=CC=CC=C5)=O)C4=C1,16 ± 4
5d,ClC1=CC=C(NC(C(C2=NN(C(C)=O)C(C3=CC=C(F)C=C3)C2)=C4C5=CC=CC=C5)=O)C4=C1,50 ± 10
6d,ClC1=CC=C(NC(C(C2=NN(C(CC)=O)C(C3=CC=C(F)C=C3)C2)=C4C5=CC=CC=C5)=O)C4=C1,34 ± 3
7d,O=C1NC2=CC=C(Cl)C=C2C(C3=CC=CC=C3)=C1C4=NN(C(CCN)=O)C(C5=CC=C(F)C=C5)C4,NA
8d,O=C1NC2=CC=C(Cl)C=C2C(C3=CC=CC=C3)=C1C4=NN(C(CCC(N)=O)=O)C(C5=CC=C(F)C=C5)C4,NA
9d,O=C1NC2=CC=C(Cl)C=C2C(C3=CC=CC=C3)=C1C4=NN(C(CCC(OC)=O)=O)C(C5=CC=C(F)C=C5)C4,NA
10d,O=C1NC2=CC=C(Cl)C=C2C(C3=CC=CC=C3)=C1C4=NN(C(CCNS(=O)(C)=O)=O)C(C5=CC=C(F)C=C5)C4,NA
11d,ClC1=CC=C(NC(C(C2=NN(C(CCC(O)=O)=O)C(C3=CC=C(Cl)C=C3)C2)=C4C5=CC=CC=C5)=O)C4=C1,59 ± 8
12d,ClC1=CC=C(NC(C(C2=NN(C(CCC(O)=O)=O)C(C3=CC=C(Br)C=C3)C2)=C4C5=CC=CC=C5)=O)C4=C1,16 ± 2
13d,ClC1=CC=C(NC(C(C2=NN(C(CCC(O)=O)=O)C(C3=CC=C(OC)C=C3)C2)=C4C5=CC=CC=C5)=O)C4=C1,NA
14d,ClC1=CC=C(NC(C(C2=NN(C(CCC(O)=O)=O)C(C3=CC=C(C(C)(C)C)C=C3)C2)=C4C5=CC=CC=C5)=O)C4=C1,NA
15d,ClC1=CC=C(NC(C(C2=NN(C(CCC(O)=O)=O)C(C3=CC(F)=C(OC)C=C3)C2)=C4C5=CC=CC=C5)=O)C4=C1,NA
16d,ClC1=CC=C(NC(C(C2=NN(C(CCC(O)=O)=O)C(C3=CC=C(C(F)(F)F)C=C3)C2)=C4C5=CC=CC=C5)=O)C4=C1,29 ± 2
17d,ClC1=CC=C(NC(C(C2=NN(C(CCC(O)=O)=O)C(C3=CC=CO3)C2)=C4C5=CC=CC=C5)=O)C4=C1,NA
18d,ClC1=CC=C(NC(C(C2=NN(C(CCC(O)=O)=O)C(C3=CC=C(C4=CC=C(F)C=C4)C=C3)C2)=C5C6=CC=CC=C6)=O)C5=C1,13 ± 1
19d,ClC1=CC=C(NC(C(C2=NN(C(CCC(O)=O)=O)C(C3=CC=C(C4=CC=C(Cl)C=C4)C=C3)C2)=C5C6=CC=CC=C6)=O)C5=C1,25 ± 5
20d,ClC1=CC=C(NC(C(C2=NN(C(CCC(O)=O)=O)C(C3=CC=C(C4=CC=C(Br)C=C4)C=C3)C2)=C5C6=CC=CC=C6)=O)C5=C1,20 ± 2
21d,ClC1=CC=C(NC(C(C2=NN(C(CCC(O)=O)=O)C(C3=CC=C(C4=CC=C(OC)C=C4)C=C3)C2)=C5C6=CC=CC=C6)=O)C5=C1,20 ± 4
22d,O=C1NC2=CC=C(Cl)C=C2C(C3=CC=CC=C3)=C1C4=NN(C(CCC(O)=O)=O)C(C5=CC=C(N(C)C=C6)C6=C5)C4,2 ± 0.5
23d,ClC1=CC=C(NC(C(C2=NN(C(CCC(O)=O)=O)C(C3=CC=C(N(CC)C=C4)C4=C3)C2)=C5C6=CC=CC=C6)=O)C5=C1,10 ± 2
24d,ClC1=CC=C(NC(C(C2=NN(C(CCC(O)=O)=O)C(C3=CC4=C(N(CC)N=C4)C=C3)C2)=C5C6=CC=CC=C6)=O)C5=C1,NA
25d,ClC1=CC=C(NC(C(C2=NN(C(CCC(O)=O)=O)C(C3=CC4=CN(CC)N=C4C=C3)C2)=C5C6=CC=CC=C6)=O)C5=C1,28 ± 4
26d,ClC1=CC=C(NC(C(C2=NN(C(CCC(O)=O)=O)C(C3=CC4=C(N(CCC)N=C4)C=C3)C2)=C5C6=CC=CC=C6)=O)C5=C1,NA
27d,ClC1=CC=C(NC(C(C2=NN(C(CCC(O)=O)=O)C(C3=CC4=CN(CCC)N=C4C=C3)C2)=C5C6=CC=CC=C6)=O)C5=C1,NA
28d,ClC1=CC=C(NC(C(C2=NN(C(CCC(O)=O)=O)C(C3=CC4=C(N(C5CCCCC5)N=C4)C=C3)C2)=C6C7=CC=CC=C7)=O)C6=C1,NA
29d,ClC1=CC=C(NC(C(C2=NN(C(CCC(O)=O)=O)C(C3=CC4=CN(C5CCCCC5)N=C4C=C3)C2)=C6C7=CC=CC=C7)=O)C6=C1,NA
30d,ClC1=CC=C(NC(C(C2=NN(C(CCC(O)=O)=O)C(C3=CC=C(C4=CC=C(N(CC)N=C5)C5=C4)C=C3)C2)=C6C7=CC=CC=C7)=O)C6=C1,15 ± 3
31d,ClC1=CC=C(NC(C(C2=NN(C(CCC(O)=O)=O)C(C3=CC=C(C4=CC5=CN(CC)N=C5C=C4)C=C3)C2)=C6C7=CC=CC=C7)=O)C6=C1,17 ± 4
32d,ClC1=CC=C(NC(C(C2=NN(C(CCC(O)=O)=O)C(C3=CC=C(C4=CN(CCC)N=C4)C=C3)C2)=C5C6=CC=CC=C6)=O)C5=C1,65 ± 5
33d,ClC1=CC=C(NC(C(C2=NN(C(CC)=O)C(C3=CC=C(Cl)C=C3)C2)=C4C5=CC=CC=C5)=O)C4=C1,8 ± 2
34d,ClC1=CC=C(NC(C(C2=NN(C(CC)=O)C(C3=CC=C(Br)C=C3)C2)=C4C5=CC=CC=C5)=O)C4=C1,19 ± 1
35d,ClC1=CC=C(NC(C(C2=NN(C(CC)=O)C(C3=CC=C(OC)C=C3)C2)=C4C5=CC=CC=C5)=O)C4=C1,19 ± 1
36d,ClC1=CC=C(NC(C(C2=NN(C(C)=O)C(C3=CC=C(Cl)C=C3)C2)=C4C5=CC=CC=C5)=O)C4=C1,10 ± 0.7
37d,ClC1=CC=C(NC(C(C2=NN(C(C)=O)C(C3=CC=C(Br)C=C3)C2)=C4C5=CC=CC=C5)=O)C4=C1,38 ± 7
38d,ClC1=CC=C(NC(C(C2=NN(C(C)=O)C(C3=CC=C(OC)C=C3)C2)=C4C5=CC=CC=C5)=O)C4=C1,NA
39d,ClC1=CC=C(NC(C(C2=NN(C(C)=O)C(C3=CC=C(C(C)(C)C)C=C3)C2)=C4C5=CC=CC=C5)=O)C4=C1,15 ± 4
40d,ClC1=CC=C(NC(C(C2=NN(C(C)=O)C(C3=CC=C(C(F)(F)F)C=C3)C2)=C4C5=CC=CC=C5)=O)C4=C1,NA
41d,ClC1=CC=C(NC(C(C2=NN(C(C)=O)C(C3=CC=CO3)C2)=C4C5=CC=CC=C5)=O)C4=C1,NA
42d,ClC1=CC=C(NC(C(C2=NN(C(C)=O)C(C3=CC=C(C4=CC=C(Cl)C=C4)C=C3)C2)=C5C6=CC=CC=C6)=O)C5=C1,45 ± 8
43d,ClC1=CC=C(NC(C(C2=NN(C(C)=O)C(C3=CC=C(C4=CC=C(Br)C=C4)C=C3)C2)=C5C6=CC=CC=C6)=O)C5=C1,70 ± 15
44d,ClC1=CC=C(NC(C(C2=NN(C(C)=O)C(C3=CC=C(C4=CC=C(OC)C=C4)C=C3)C2)=C5C6=CC=CC=C6)=O)C5=C1,70 ± 6
45d,O=C1NC2=CC=C(Cl)C=C2C(C3=CC=CC=C3)=C1C4=NN(C(C)=O)C(C5=CC=C(N(C)C=C6)C6=C5)C4,18 ± 1
46d,ClC1=CC=C(NC(C(C2=NN(C(C)=O)C(C3=CC=C(N(CC)C=C4)C4=C3)C2)=C5C6=CC=CC=C6)=O)C5=C1,50 ± 15
47d,ClC1=CC=C(NC(C(C2=NN(C(C)=O)C(C3=CC4=C(N(CC)N=C4)C=C3)C2)=C5C6=CC=CC=C6)=O)C5=C1,40 ± 3
48d,ClC1=CC=C(NC(C(C2=NN(C(C)=O)C(C3=CC4=CN(CC)N=C4C=C3)C2)=C5C6=CC=CC=C6)=O)C5=C1,NA
49d,ClC1=CC=C(NC(C(C2=NN(C(C)=O)C(C3=CC4=C(N(CCC)N=C4)C=C3)C2)=C5C6=CC=CC=C6)=O)C5=C1,0.95 ± 0.05
50d,ClC1=CC=C(NC(C(C2=NN(C(C)=O)C(C3=CC4=CN(CCC)N=C4C=C3)C2)=C5C6=CC=CC=C6)=O)C5=C1,NA
51d,ClC1=CC=C(NC(C(C2=NN(C(C)=O)C(C3=CC=C(C4=CN(CCC)N=C4)C=C3)C2)=C5C6=CC=CC=C6)=O)C5=C1,46 ± 9
52d,O=C1NC2=CC=CC=C2C(C3=CC=CC=C3)=C1C4=NN(C(CCC(O)=O)=O)C(C5=CC=C(F)C=C5)C4,NA
53d,O=C1NC2=CC=CC=C2C(C3=CC=CC=C3)=C1C4=NN(C(CCC(O)=O)=O)C(C5=CC=C(Br)C=C5)C4,NA
54d,O=C1NC2=CC=CC=C2C(C3=CC=CC=C3)=C1C4=NN(C(CCC(O)=O)=O)C(C5=CC(Br)=CC=C5)C4,NA
55d,O=C1NC2=CC=CC=C2C(C3=CC=CC=C3)=C1C4=NN(C(CCC(O)=O)=O)C(C5=CC=C(Cl)C=C5)C4,NA
56d,O=C1NC2=CC=CC=C2C(C3=CC=CC=C3)=C1C4=NN(C(CCC(O)=O)=O)C(C5=CC=C(OC)C=C5)C4,NA
57d,O=C1NC2=CC=CC=C2C(C3=CC=CC=C3)=C1C4=NN(C(CCC(O)=O)=O)C(C5=CC=C(C(F)(F)F)C=C5)C4,NA