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. 2024 Mar 15;15(4):1392–1403. doi: 10.1039/d4md00063c

Known molecules screened from the EGFR-related ChEMBL.

Series Compound ID Structure Predicted pChEMBL Actual pChEMBL Actual IC50 (nM) Ref.
1 CHEMBL5084571 graphic file with name d4md00063c-u5.jpg 7.73 6.97 106 33
2 CHEMBL4436731 graphic file with name d4md00063c-u6.jpg 7.71 6.04 901 34
3 CHEMBL5087955 graphic file with name d4md00063c-u7.jpg 7.63 6.34 453 33
4 CHEMBL4532624 graphic file with name d4md00063c-u8.jpg 7.60 5.60 2510 34
5 CHEMBL4445586 graphic file with name d4md00063c-u9.jpg 7.58 6.03 934 34
6 CHEMBL4545109 graphic file with name d4md00063c-u10.jpg 7.53 5.69 2060 34
7 CHEMBL5085531 graphic file with name d4md00063c-u11.jpg 7.50 7.25 56 33
8 CHEMBL4456281 graphic file with name d4md00063c-u12.jpg 7.47 5.03 9300 34
9 CHEMBL4463000 graphic file with name d4md00063c-u13.jpg 7.15 7.82 15 34