File size: 257 Bytes
f00e6d2 | 1 2 3 4 | HMGCR_4828
This dataset consists of ~5K MAOB inhibitors downloaded from ChEMBL.
Each molecule with a Na counterion has been duplicated without the counterion.
Molecules have been classified accordin to IC50 values into 3 classes: < 50 nM, <500 nM, > 500 nM. |