| Rank | Compound | SMILES | ΔG / kcal M-1 | pIC50 | |
|---|---|---|---|---|---|
| 401 | PET-UNK-c6bcc80b-11 |
|
CS(=O)(=O)Nc1cc2cncc(c2cc1F)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | 6.4 ± 0.9 | −4.7 ± 0.6 |
| 402 | EDJ-MED-4138fde9-7 |
|
CN1CC(C1)(CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl)C#N | 6.5 ± 0.9 | −4.7 ± 0.6 |
| 403 | EDJ-MED-dfa1d800-1 |
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCCC6)c7cc(ccc7C2=O)Cl | 7.7 ± 0.8 | −5.6 ± 0.6 |
| 404 | EDJ-MED-4138fde9-1 |
|
CNCCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | 9 ± 1 | −6.3 ± 0.8 |