Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Rattus norvegicus | Sigma opioid receptor | Starlite/ChEMBL | References |
Rattus norvegicus | Vesicular acetylcholine transporter | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Brugia malayi | Abnormal catecholamine distribution protein 1 | Vesicular acetylcholine transporter | 530 aa | 504 aa | 33.7 % |
Loa Loa (eye worm) | abnormal catecholamine distribution protein 1 | Vesicular acetylcholine transporter | 530 aa | 507 aa | 34.7 % |
Echinococcus multilocularis | synaptic vesicular amine transporter | Vesicular acetylcholine transporter | 530 aa | 479 aa | 37.0 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Schistosoma mansoni | vesicular acetylcholine transporter | 0.0534 | 0.5847 | 1 |
Trypanosoma cruzi | C-8 sterol isomerase, putative | 0.0889 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0889 | 1 | 1 |
Echinococcus granulosus | vesicular acetylcholine transporter | 0.0534 | 0.5847 | 1 |
Loa Loa (eye worm) | CMGC/MAPK/ERK1 protein kinase | 0.006 | 0.0304 | 0.0289 |
Echinococcus multilocularis | vesicular acetylcholine transporter | 0.0534 | 0.5847 | 1 |
Toxoplasma gondii | CMGC kinase, MAPK family (ERK) MAPK-1 | 0.006 | 0.0304 | 1 |
Onchocerca volvulus | Vesicular acetylcholine transporter homolog | 0.0534 | 0.5847 | 1 |
Echinococcus granulosus | mitogen activated protein kinase 3 | 0.006 | 0.0304 | 0.0519 |
Brugia malayi | vesicular acetylcholine transporter unc-17 | 0.0534 | 0.5847 | 0.5841 |
Trypanosoma brucei | C-8 sterol isomerase, putative | 0.0889 | 1 | 1 |
Trichomonas vaginalis | set domain proteins, putative | 0.0277 | 0.2846 | 1 |
Echinococcus multilocularis | mitogen activated protein kinase 3 | 0.006 | 0.0304 | 0.0495 |
Echinococcus granulosus | mitogen activated protein kinase | 0.006 | 0.0304 | 0.0519 |
Giardia lamblia | Kinase, CMGC MAPK | 0.006 | 0.0304 | 0.5 |
Schistosoma mansoni | serine/threonine protein kinase | 0.006 | 0.0304 | 0.0495 |
Loa Loa (eye worm) | pre-SET domain-containing protein family protein | 0.0244 | 0.2453 | 0.2441 |
Onchocerca volvulus | 0.0277 | 0.2846 | 0.4854 | |
Leishmania major | C-8 sterol isomerase-like protein | 0.0889 | 1 | 1 |
Plasmodium vivax | SET domain protein, putative | 0.0035 | 0.0015 | 0.5 |
Brugia malayi | Pre-SET motif family protein | 0.0244 | 0.2453 | 0.2441 |
Echinococcus granulosus | histone lysine methyltransferase setb | 0.0035 | 0.0015 | 0.0026 |
Brugia malayi | MAP kinase sur-1 | 0.006 | 0.0304 | 0.0289 |
Echinococcus multilocularis | mitogen activated protein kinase | 0.006 | 0.0304 | 0.0495 |
Loa Loa (eye worm) | vesicular acetylcholine transporter unc-17 | 0.0534 | 0.5847 | 0.5841 |
Loa Loa (eye worm) | hypothetical protein | 0.0455 | 0.4919 | 0.4911 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Ki (binding) | = 47.3 nM | Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation counting based competitive radioligand binding assay | ChEMBL. | 26071858 |
Ki (binding) | = 316 nM | Displacement of (-)-[3H]vesamicol from rat VAChT expressed in PC12 cell membranes incubated for 2 hrs by liquid scintillation counting based competitive radioligand binding assay | ChEMBL. | 26071858 |
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.