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 |
Plasmodium yoelii | integrase-related | 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 |
Schistosoma mansoni | hypothetical protein | Get druggable targets OG5_139608 | All targets in OG5_139608 |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Schistosoma mansoni | glycogen phosphorylase | 0.1387 | 1 | 1 |
Chlamydia trachomatis | glycogen phosphorylase | 0.1387 | 1 | 0.5 |
Echinococcus granulosus | Glycosyl transferase family 35 | 0.1387 | 1 | 0.5 |
Loa Loa (eye worm) | glycogen phosphorylase | 0.1387 | 1 | 0.5 |
Giardia lamblia | Glycogen phosphorylase | 0.1387 | 1 | 0.5 |
Trichomonas vaginalis | glycogen phosphorylase, putative | 0.1387 | 1 | 0.5 |
Entamoeba histolytica | glycogen phosphorylase, putative | 0.1387 | 1 | 1 |
Echinococcus multilocularis | Glycosyl transferase, family 35 | 0.1387 | 1 | 0.5 |
Echinococcus multilocularis | glycogen phosphorylase | 0.1387 | 1 | 0.5 |
Echinococcus multilocularis | glycogen phosphorylase | 0.1387 | 1 | 0.5 |
Trichomonas vaginalis | glycogen phosphorylase, putative | 0.1387 | 1 | 0.5 |
Schistosoma mansoni | glycogen phosphorylase | 0.1387 | 1 | 1 |
Echinococcus granulosus | glycogen phosphorylase | 0.1387 | 1 | 0.5 |
Onchocerca volvulus | Glycogen phosphorylase homolog | 0.1387 | 1 | 0.5 |
Mycobacterium tuberculosis | Probable glycogen phosphorylase GlgP | 0.06 | 0 | 0.5 |
Mycobacterium ulcerans | glycogen phosphorylase GlgP | 0.06 | 0 | 0.5 |
Entamoeba histolytica | glycogen phosphorylase, putative | 0.1387 | 1 | 1 |
Echinococcus granulosus | glycogen phosphorylase | 0.1387 | 1 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
CC50 (ADMET) | = 125.6 uM | Cytotoxicity against human MT4 cells assessed as reduction in cell viability by MTT assay | ChEMBL. | 26150289 |
IC50 (binding) | = 19.12 uM | Binding affinity to His6-tagged recombinant HIV1 Integrase assessed as inhibition of protein interaction with 3xFLAG-tagged LEDGF/p75 preincubated for 30 mins followed by 3xFLAG-tagged LEDGF/p75 addition measured after 60 mins by AlphaScreen assay | ChEMBL. | 26150289 |
Inhibition (binding) | = 88 % | Binding affinity to His6-tagged recombinant HIV1 Integrase assessed as inhibition of protein interaction with 3xFLAG-tagged LEDGF/p75 at 100 uM preincubated for 30 mins followed by 3xFLAG-tagged LEDGF/p75 addition measured after 60 mins by AlphaScreen assay relative to control | ChEMBL. | 26150289 |
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.