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. 2018 Apr 17;8(26):14311–14327. doi: 10.1039/c8ra00094h

Structures and actual pIC50 activity values of four new h-DAAO inhibitors, compared with their predicted activities by CoMFA and CoMSIA models.

No. Structure Actual pIC50 Predicted pIC50
CoMFA CoMSIA
5m graphic file with name c8ra00094h-u26.jpg 7.097 7.262 7.676
5y graphic file with name c8ra00094h-u27.jpg 7.523 7.259 7.619
5z graphic file with name c8ra00094h-u28.jpg 7.222 7.072 7.481
10b graphic file with name c8ra00094h-u29.jpg 7.398 7.234 7.407