Known molecules screened from the EGFR-related ChEMBL.
Series | Compound ID | Structure | Predicted pChEMBL | Actual pChEMBL | Actual IC50 (nM) | Ref. |
---|---|---|---|---|---|---|
1 | CHEMBL5084571 | 7.73 | 6.97 | 106 | 33 | |
2 | CHEMBL4436731 | 7.71 | 6.04 | 901 | 34 | |
3 | CHEMBL5087955 | 7.63 | 6.34 | 453 | 33 | |
4 | CHEMBL4532624 | 7.60 | 5.60 | 2510 | 34 | |
5 | CHEMBL4445586 | 7.58 | 6.03 | 934 | 34 | |
6 | CHEMBL4545109 | 7.53 | 5.69 | 2060 | 34 | |
7 | CHEMBL5085531 | 7.50 | 7.25 | 56 | 33 | |
8 | CHEMBL4456281 | 7.47 | 5.03 | 9300 | 34 | |
9 | CHEMBL4463000 | 7.15 | 7.82 | 15 | 34 |