Table 1.
Ultra-High-Throughput Screening Campaign Summary and Results
| Assay Statistics | ||||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Step | Screen type | Target | Number of compounds tested |
Number of replicates/ concentrations |
Selection Criteria |
Number of selected compounds (Hits) |
*PubChem AID |
Z’ | S/B | |
| 1 | Primary | MetRS | 364,131 | 1/1 | %inh> 5.61% | 1,456 | 624268 | 0.90 ± 0.03 | 16.33 ± 13.13 | |
| 2a | Confirmation | MetRS | 1,370 | 3/1 | %inh> 5.61% | 1,270 (522, 266) | 624412 | 0.92 ± 0.02 | 7.10 ± 0.20 | |
| 2b | Cytotoxicity | Cell growth | 1,370 | 3/1 | %inh> 14.97% 161 | 624413 | 0.83 ± 0.02 | 19.79 ± 1.44 | ||
| 2c | Orthogonal | MetRS | 1,370 | 3/1 | %inh> 16.67% | 599 (522) | 651607 | 0.70 ± 0.02 | 1.86 ± 0.02 | |
| 3a | Titration | MetRS | 249 | 3/10 | IC50<10µM | 137 (54) | 651971 | 0.90 ± 0.01 | 5.82 ± 0.18 | |
| 3b | Cytotoxicity | Cell growth | 249 | 3/10 | IC50<10µM | 2 (54) | 651972 | 0.71 ± 0.05 | 23.73 ± 0.92 | |
| 3c | Orthogonal | MetRS | 249 | 3/10 | IC50<10µM | 101 (54) | 651989 | 0.60 ± 0.04 | 1.61 ± 0.05 | |
*
PubChem AID = the unique assay identifier for use at http://pubchem.ncbi.nlm.nih.gov/