Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Brugia malayi | Hydroxymethylglutaryl-coenzyme A reductase family protein | 0.0152 | 0.2938 | 0.2938 |
Schistosoma mansoni | hydroxymethylglutaryl-CoA reductase (NADPH) | 0.0152 | 0.2938 | 0.334 |
Echinococcus multilocularis | hydroxymethylglutaryl coenzyme A reductase | 0.0152 | 0.2938 | 0.2938 |
Trypanosoma cruzi | 3-hydroxy-3-methylglutaryl-CoA reductase, putative | 0.0152 | 0.2938 | 1 |
Leishmania major | 3-hydroxy-3-methylglutaryl-CoA reductase | 0.0152 | 0.2938 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0152 | 0.2938 | 0.2938 |
Schistosoma mansoni | alpha-glucosidase | 0.0305 | 0.8796 | 1 |
Trypanosoma cruzi | 3-hydroxy-3-methylglutaryl-CoA reductase | 0.0152 | 0.2938 | 1 |
Onchocerca volvulus | 0.0305 | 0.8796 | 0.5 | |
Trypanosoma brucei | 3-hydroxy-3-methylglutaryl-CoA reductase, putative | 0.0152 | 0.2938 | 1 |
Schistosoma mansoni | alpha-glucosidase | 0.0305 | 0.8796 | 1 |
Echinococcus granulosus | hydroxymethylglutaryl coenzyme A reductase | 0.0152 | 0.2938 | 0.2938 |
Mycobacterium ulcerans | hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase | 0.0152 | 0.2938 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
CC50 (ADMET) | = 5 uM | Cytotoxicity against human LNCAP cells assessed as inhibition of cell proliferation after 72 hrs by MTT assay | ChEMBL. | 23445471 |
IC50 (binding) | > 20 uM | Inhibition of HIV-1 integrase strand transfer activity | ChEMBL. | 23445471 |
IC50 (binding) | > 20 uM | Inhibition of HIV-1 integrase 3'-processing activity | ChEMBL. | 23445471 |
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.