Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | sigma non-opioid intracellular receptor 1 | Starlite/ChEMBL | References |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Echinococcus granulosus | poly ADP ribose polymerase 1 | 0.0334 | 0.6687 | 0.6687 |
Toxoplasma gondii | poly(ADP-ribose) polymerase catalytic domain-containing protein | 0.0347 | 0.7066 | 1 |
Trypanosoma brucei | poly(adp-ribose) polymerase | 0.0183 | 0.2316 | 0.0921 |
Loa Loa (eye worm) | hypothetical protein | 0.0445 | 0.9919 | 0.9911 |
Schistosoma mansoni | pyruvate dehydrogenase | 0.0423 | 0.9276 | 0.9139 |
Trypanosoma brucei | C-8 sterol isomerase, putative | 0.0445 | 0.9919 | 0.9904 |
Trypanosoma cruzi | poly(ADP-ribose) polymerase, putative | 0.0183 | 0.2316 | 0.0921 |
Trypanosoma cruzi | C-8 sterol isomerase, putative | 0.0445 | 0.9919 | 0.9904 |
Toxoplasma gondii | ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein | 0.0181 | 0.226 | 0.1309 |
Entamoeba histolytica | poly(ADP-ribose) polymerase, putative | 0.0334 | 0.6687 | 0.5 |
Echinococcus granulosus | Pyruvate dehydrogenase lipoamide kinase | 0.0447 | 1 | 1 |
Trypanosoma brucei | developmentally regulated phosphoprotein | 0.0447 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0447 | 1 | 1 |
Trypanosoma cruzi | developmentally regulated phosphoprotein, putative | 0.0447 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0183 | 0.2316 | 0.1639 |
Schistosoma mansoni | pyruvate dehydrogenase | 0.0447 | 1 | 1 |
Trypanosoma cruzi | poly(ADP-ribose) polymerase, putative | 0.0183 | 0.2316 | 0.0921 |
Loa Loa (eye worm) | hypothetical protein | 0.0254 | 0.4371 | 0.3875 |
Echinococcus multilocularis | poly (ADP ribose) polymerase 1 | 0.0334 | 0.6687 | 0.5688 |
Leishmania major | C-8 sterol isomerase-like protein | 0.0445 | 0.9919 | 0.9904 |
Echinococcus multilocularis | Pyruvate dehydrogenase (lipoamide) kinase | 0.0447 | 1 | 1 |
Schistosoma mansoni | poly [ADP-ribose] polymerase | 0.0183 | 0.2316 | 0.0856 |
Schistosoma mansoni | pyruvate dehydrogenase | 0.0423 | 0.9276 | 0.9139 |
Loa Loa (eye worm) | hypothetical protein | 0.0227 | 0.3597 | 0.3032 |
Brugia malayi | ERG2 and Sigma1 receptor like protein | 0.0445 | 0.9919 | 0.9894 |
Brugia malayi | WGR domain containing protein | 0.0334 | 0.6687 | 0.5688 |
Echinococcus multilocularis | Pyruvate dehydrogenase (lipoamide) kinase | 0.0447 | 1 | 1 |
Schistosoma mansoni | poly [ADP-ribose] polymerase | 0.0334 | 0.6687 | 0.6057 |
Leishmania major | developmentally regulated phosphoprotein-like protein | 0.0447 | 1 | 1 |
Echinococcus granulosus | poly adp ribose polymerase 2 | 0.0183 | 0.2316 | 0.2316 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
CC50 (functional) | = 107 uM | Cytotoxicity against a human diploid embryonic lung cell line (MRC-5 cells) using the colorimetric MTT assay | ChEMBL. | 16140009 |
CC50 (functional) | = 107 uM | Cytotoxicity against a human diploid embryonic lung cell line (MRC-5 cells) using the colorimetric MTT assay | ChEMBL. | 16140009 |
IC50 (binding) | = 4.5 nM | Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at 22 degree C | ChEMBL. | 16140009 |
IC50 (binding) | = 4.5 nM | Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at 22 degree C | ChEMBL. | 16140009 |
IC50 (binding) | = 972 nM | Inhbitory activity against opioid sigma 2 receptor in rat cerebral cortex using [3H]-DTG (+300 nM (+)pentazocine) as radio ligand at pH 7.5 for 120 min at 22 degree C | ChEMBL. | 16140009 |
IS (binding) | = 23778 | Selectivity index against opioid receptor sigma 1 versus cyctotoxicity to that of inhibitory concentration | ChEMBL. | 16140009 |
IS (binding) | = 23778 | Selectivity index against opioid receptor sigma 1 versus cyctotoxicity to that of inhibitory concentration | ChEMBL. | 16140009 |
Ratio (binding) | = 216 | Selectivity against opioid receptor sigma 2 to that of opioid receptor sigma 1 | ChEMBL. | 16140009 |
Ratio (binding) | = 216 | Selectivity against opioid receptor sigma 2 to that of opioid receptor sigma 1 | ChEMBL. | 16140009 |
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.
1 literature reference was collected for this gene.