Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Human immunodeficiency virus 1 | Human immunodeficiency virus type 1 protease | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target/s | Ortholog Group |
---|---|---|---|
Schistosoma mansoni | intracisternal A-particle retropepsin (A02 family) | Get druggable targets OG5_131408 | All targets in OG5_131408 |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Schistosoma mansoni | cercarial elastase (S01 family) | 0.029 | 0.0072 | 0.0072 |
Schistosoma mansoni | subfamily S1A unassigned peptidase (S01 family) | 0.1974 | 0.9951 | 0.9951 |
Echinococcus granulosus | tissue type plasminogen activator | 0.0681 | 0.2364 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0681 | 0.2364 | 0.232 |
Schistosoma mansoni | subfamily S1A unassigned peptidase (S01 family) | 0.029 | 0.0072 | 0.0072 |
Loa Loa (eye worm) | hypothetical protein | 0.1974 | 0.9951 | 1 |
Onchocerca volvulus | 0.1684 | 0.8249 | 0.8277 | |
Schistosoma mansoni | cercarial elastase (S01 family) | 0.029 | 0.0072 | 0.0072 |
Onchocerca volvulus | 0.1974 | 0.9951 | 1 | |
Schistosoma mansoni | cercarial elastase (S01 family) | 0.029 | 0.0072 | 0.0072 |
Onchocerca volvulus | 0.0681 | 0.2364 | 0.232 | |
Brugia malayi | Trypsin family protein | 0.1974 | 0.9951 | 1 |
Schistosoma mansoni | cercarial elastase (S01 family) | 0.029 | 0.0072 | 0.0072 |
Schistosoma mansoni | cercarial elastase (S01 family) | 0.029 | 0.0072 | 0.0072 |
Schistosoma mansoni | cercarial elastase (S01 family) | 0.029 | 0.0072 | 0.0072 |
Toxoplasma gondii | PAN domain-containing protein | 0.1563 | 0.7541 | 1 |
Schistosoma mansoni | hypothetical protein | 0.029 | 0.0072 | 0.0072 |
Schistosoma mansoni | cercarial elastase (S01 family) | 0.029 | 0.0072 | 0.0072 |
Schistosoma mansoni | cercarial elastase (S01 family) | 0.029 | 0.0072 | 0.0072 |
Schistosoma mansoni | hypothetical protein | 0.0681 | 0.2364 | 0.2364 |
Echinococcus multilocularis | tissue type plasminogen activator | 0.0681 | 0.2364 | 1 |
Brugia malayi | Protein kinase domain containing protein | 0.0681 | 0.2364 | 0.232 |
Schistosoma mansoni | subfamily S1A unassigned peptidase (S01 family) | 0.029 | 0.0072 | 0.0072 |
Loa Loa (eye worm) | hypothetical protein | 0.1974 | 0.9951 | 1 |
Schistosoma mansoni | aminopeptidase PILS (M01 family) | 0.029 | 0.0072 | 0.0072 |
Leishmania major | hypothetical protein, conserved | 0.0681 | 0.2364 | 0.5 |
Schistosoma mansoni | intracisternal A-particle retropepsin (A02 family) | 0.1528 | 0.7334 | 0.7334 |
Trypanosoma cruzi | hypothetical protein, conserved | 0.0681 | 0.2364 | 0.5 |
Plasmodium vivax | cysteine repeat modular protein 1, putative | 0.0681 | 0.2364 | 0.5 |
Schistosoma mansoni | subfamily S1A unassigned peptidase (S01 family) | 0.029 | 0.0072 | 0.0072 |
Plasmodium falciparum | cysteine repeat modular protein 1 | 0.0681 | 0.2364 | 0.5 |
Schistosoma mansoni | subfamily S1A unassigned peptidase (S01 family) | 0.0294 | 0.0097 | 0.0097 |
Loa Loa (eye worm) | TK/ROR protein kinase | 0.0681 | 0.2364 | 0.232 |
Mycobacterium ulcerans | hypothetical protein | 0.029 | 0.0072 | 0.5 |
Toxoplasma gondii | PAN domain-containing protein | 0.1563 | 0.7541 | 1 |
Schistosoma mansoni | subfamily S1A unassigned peptidase (S01 family) | 0.029 | 0.0072 | 0.0072 |
Schistosoma mansoni | cercarial elastase (S01 family) | 0.029 | 0.0072 | 0.0072 |
Brugia malayi | Kringle domain containing protein | 0.0681 | 0.2364 | 0.232 |
Schistosoma mansoni | cercarial elastase (S01 family) | 0.029 | 0.0072 | 0.0072 |
Schistosoma mansoni | hypothetical protein | 0.029 | 0.0072 | 0.0072 |
Schistosoma mansoni | cercarial elastase (S01 family) | 0.029 | 0.0072 | 0.0072 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
cLogP (ADMET) | = 3.66 | cLogP value of the compound | ChEMBL. | No reference |
IC50 (functional) | = 0.3 uM | Antiviral efficacy measured by a hybrid HIV-l/vaccinia virus infected monkey cell line (HIV- l/vVK-1 infected CV- 1) which produces HIV-1 gag-pol derived polyproteins | ChEMBL. | No reference |
Inhibition (functional) | = 100 % | Antiviral efficacy measured by a hybrid HIV-l/vaccinia virus infected monkey cell line (HIV- l/vVK-1 infected CV- 1) which produces HIV-1 gag-pol derived polyproteins at 10 microM concentration | ChEMBL. | No reference |
Ki (binding) | = 8 nM | Evaluated for inhibitory activity against HIV-1 protease | ChEMBL. | No reference |
Ki (binding) | = 8 nM | Evaluated for inhibitory activity against HIV-1 protease | ChEMBL. | No reference |
Permeability (ADMET) | = 17000000 cm s-1 | Tested for the Caco-2 cell permeability | ChEMBL. | No reference |
Permeability (ADMET) | = 17000000 cm s-1 | Tested for the Caco-2 cell permeability | ChEMBL. | No reference |
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.