Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Human immunodeficiency virus 1 | Integrase | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target/s | Ortholog Group |
---|---|---|---|
Trypanosoma brucei | RNA helicase, putative | Get druggable targets OG5_139608 | All targets in OG5_139608 |
Schistosoma mansoni | hypothetical protein | Get druggable targets OG5_139608 | All targets in OG5_139608 |
Trypanosoma congolense | RNA helicase, putative | Get druggable targets OG5_139608 | All targets in OG5_139608 |
Plasmodium yoelii | integrase-related | Get druggable targets OG5_139608 | All targets in OG5_139608 |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Echinococcus granulosus | myotubularin protein 13 | 0.0009 | 0.0061 | 1 |
Schistosoma mansoni | vav2 | 0.0009 | 0.0061 | 0.0141 |
Brugia malayi | C1-like domain containing protein | 0.0063 | 0.2032 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0055 | 0.1772 | 0.8468 |
Loa Loa (eye worm) | CAMK/PKD protein kinase | 0.0056 | 0.178 | 0.8504 |
Loa Loa (eye worm) | CAMK/PKD protein kinase | 0.0063 | 0.2032 | 0.971 |
Brugia malayi | Pleckstrin Homology Domain | 0.0009 | 0.0061 | 0.0299 |
Trypanosoma cruzi | squalene monooxygenase, putative | 0.028 | 1 | 0.5 |
Brugia malayi | Phorbol esters/diacylglycerol binding domain | 0.0063 | 0.2032 | 1 |
Schistosoma mansoni | hypothetical protein | 0.0125 | 0.4321 | 1 |
Onchocerca volvulus | 0.0064 | 0.2093 | 1 | |
Trypanosoma cruzi | squalene monooxygenase, putative | 0.028 | 1 | 0.5 |
Onchocerca volvulus | 0.0062 | 0.2025 | 0.7864 | |
Trypanosoma brucei | squalene monooxygenase, putative | 0.028 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0055 | 0.1772 | 0.8468 |
Loa Loa (eye worm) | hypothetical protein | 0.0062 | 0.2025 | 0.9673 |
Echinococcus multilocularis | myotubularin protein 13 | 0.0009 | 0.0061 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0064 | 0.2093 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0009 | 0.0061 | 0.029 |
Schistosoma mansoni | protein kinase C mu | 0.0063 | 0.2032 | 0.4703 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
CC50 (ADMET) | = 8 uM | Cytotoxicity against human CEM-SS cells infected with HIV-1 RF after 6 days by XTT assay | ChEMBL. | 21446745 |
CLH (ADMET) | = 19.2 uL/min | Intrinsic clearance in human liver microsomes assessed per mg of protein by LC-MS/MS analysis | ChEMBL. | No reference |
IC50 (binding) | = 2.9 nM | Inhibition of HIV-1 integrase strand transfer activity by scintillation proximity assay | ChEMBL. | 21446745 |
permeability (ADMET) | = 15.3 10'-6 cm/s | Permeability across apical to basolateral side in human Caco2 cells | ChEMBL. | 21446745 |
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.