Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Mycobacterium smegmatis | DNA gyrase subunit B | Starlite/ChEMBL | References |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Fu (ADMET) | = 14 % | Fraction unbound in human plasma | ChEMBL. | 24405701 |
IC50 (binding) | = 14 nM | Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins | ChEMBL. | 24405701 |
MIC (functional) | = 3 uM | Antitubercular activity against Mycobacterium tuberculosis assessed as growth inhibition | ChEMBL. | 24405701 |
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.