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 |
Trypanosoma cruzi | poly(ADP-ribose) polymerase, putative | 0.0183 | 0.2316 | 0.0921 |
Loa Loa (eye worm) | hypothetical protein | 0.0445 | 0.9919 | 0.9911 |
Echinococcus granulosus | Pyruvate dehydrogenase lipoamide kinase | 0.0447 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0447 | 1 | 1 |
Schistosoma mansoni | pyruvate dehydrogenase | 0.0423 | 0.9276 | 0.9139 |
Echinococcus multilocularis | poly (ADP ribose) polymerase 1 | 0.0334 | 0.6687 | 0.5688 |
Toxoplasma gondii | poly(ADP-ribose) polymerase catalytic domain-containing protein | 0.0347 | 0.7066 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0254 | 0.4371 | 0.3875 |
Trypanosoma brucei | developmentally regulated phosphoprotein | 0.0447 | 1 | 1 |
Trypanosoma cruzi | developmentally regulated phosphoprotein, putative | 0.0447 | 1 | 1 |
Echinococcus multilocularis | Pyruvate dehydrogenase (lipoamide) kinase | 0.0447 | 1 | 1 |
Schistosoma mansoni | poly [ADP-ribose] polymerase | 0.0334 | 0.6687 | 0.6057 |
Brugia malayi | WGR domain containing protein | 0.0334 | 0.6687 | 0.5688 |
Trypanosoma brucei | C-8 sterol isomerase, putative | 0.0445 | 0.9919 | 0.9904 |
Trypanosoma brucei | poly(adp-ribose) polymerase | 0.0183 | 0.2316 | 0.0921 |
Leishmania major | developmentally regulated phosphoprotein-like protein | 0.0447 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0227 | 0.3597 | 0.3032 |
Schistosoma mansoni | poly [ADP-ribose] polymerase | 0.0183 | 0.2316 | 0.0856 |
Entamoeba histolytica | poly(ADP-ribose) polymerase, putative | 0.0334 | 0.6687 | 0.5 |
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 |
Schistosoma mansoni | pyruvate dehydrogenase | 0.0423 | 0.9276 | 0.9139 |
Echinococcus multilocularis | Pyruvate dehydrogenase (lipoamide) kinase | 0.0447 | 1 | 1 |
Schistosoma mansoni | pyruvate dehydrogenase | 0.0447 | 1 | 1 |
Echinococcus granulosus | poly adp ribose polymerase 2 | 0.0183 | 0.2316 | 0.2316 |
Leishmania major | C-8 sterol isomerase-like protein | 0.0445 | 0.9919 | 0.9904 |
Loa Loa (eye worm) | hypothetical protein | 0.0183 | 0.2316 | 0.1639 |
Brugia malayi | ERG2 and Sigma1 receptor like protein | 0.0445 | 0.9919 | 0.9894 |
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.