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 |
---|---|---|---|---|
Onchocerca volvulus | Vesicular acetylcholine transporter homolog | 0.0267 | 0.1343 | 0.5 |
Loa Loa (eye worm) | vesicular acetylcholine transporter unc-17 | 0.0267 | 0.1343 | 0.1827 |
Loa Loa (eye worm) | hypothetical protein | 0.0445 | 0.7351 | 1 |
Trypanosoma cruzi | C-8 sterol isomerase, putative | 0.0445 | 0.7351 | 0.5 |
Brugia malayi | ERG2 and Sigma1 receptor like protein | 0.0445 | 0.7351 | 1 |
Schistosoma mansoni | vesicular acetylcholine transporter | 0.0267 | 0.1343 | 0.5 |
Mycobacterium tuberculosis | NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) | 0.0523 | 1 | 0.5 |
Mycobacterium ulcerans | enoyl-(acyl carrier protein) reductase | 0.0523 | 1 | 0.5 |
Mycobacterium leprae | NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) | 0.0523 | 1 | 0.5 |
Plasmodium vivax | enoyl-acyl carrier protein reductase | 0.0523 | 1 | 0.5 |
Trichomonas vaginalis | hypothetical protein | 0.0523 | 1 | 0.5 |
Leishmania major | C-8 sterol isomerase-like protein | 0.0445 | 0.7351 | 0.5 |
Plasmodium falciparum | enoyl-acyl carrier reductase | 0.0523 | 1 | 0.5 |
Trypanosoma brucei | C-8 sterol isomerase, putative | 0.0445 | 0.7351 | 0.5 |
Echinococcus granulosus | vesicular acetylcholine transporter | 0.0267 | 0.1343 | 0.5 |
Echinococcus multilocularis | vesicular acetylcholine transporter | 0.0267 | 0.1343 | 0.5 |
Toxoplasma gondii | enoyl-acyl carrier reductase ENR | 0.0523 | 1 | 0.5 |
Wolbachia endosymbiont of Brugia malayi | enoyl-ACP reductase | 0.0523 | 1 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Ki (binding) | = 9.3 nM | Displacement of [125I]O-iodo-trans-decalinvesamicol from VAChT in Sprague-Dawley rat cerebral membrane after 1 hr by gamma counting | ChEMBL. | 22831799 |
Ki (binding) | = 13.8 nM | Displacement of (-)-[3H]vesamicol from VAChT in Sprague-Dawley rat cerebral membrane after 60 mins by liquid scintillation counting in presence of DTG | ChEMBL. | 22831799 |
Ki (binding) | = 150.7 nM | Displacement of (+)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cerebral membrane after 90 mins by liquid scintillation counting | ChEMBL. | 22831799 |
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.