Table 2
- Structure and Simplified Molecular-Input Line-Entry System (SMILE) ID of compounds that successfully passes the pan assay interference compounds filter.
| Ligand | PAINS Filter | Structure | SMILE ID |
|---|---|---|---|
| ChemBridge14695864 | Passed |  | c1(cccc(c1)NC1=C(C(CC(C1)(C)C)NC(=O)c1n[nH]c(=O)cc1)CN)F |
| ChemBridge16586858 | Passed |  | c1ccc(cc1)CCCC1NC2C(O1)CC=C(C2)C(=O)NCCN1CCCC(C1)O |
| ChemBridge16610636 | Passed |  | C1C(CC(=CC1)CNC(=O)CC1CCN(CC1)CC1C(C(=CCC1)[O-])O)C(P)(I)P |
| ZINC06893293 | Passed |  | O=C(CCS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)N1CCc2ccccc2C1 |