Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Mycobacterium smegmatis | DNA gyrase subunit B | Starlite/ChEMBL | References |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Leishmania major | mitochondrial DNA topoisomerase II | 0.0088 | 0.4309 | 1 |
Mycobacterium tuberculosis | Transcriptional regulatory protein (probably AraC-family) | 0.0172 | 1 | 1 |
Mycobacterium leprae | Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) | 0.0053 | 0.1887 | 0.5 |
Mycobacterium ulcerans | Ada regulatory protein AlkA | 0.0172 | 1 | 1 |
Onchocerca volvulus | DNA topoisomerase 2 homolog | 0.0036 | 0.0741 | 0.5 |
Wolbachia endosymbiont of Brugia malayi | DNA gyrase, topoisomerase II, B subunit, GyrB | 0.0153 | 0.8682 | 0.5 |
Loa Loa (eye worm) | TOPoisomerase family member | 0.0036 | 0.0741 | 1 |
Onchocerca volvulus | DNA topoisomerase 2 homolog | 0.0036 | 0.0741 | 0.5 |
Onchocerca volvulus | Putative DNA topoisomerase 2, mitochondrial | 0.0036 | 0.0741 | 0.5 |
Schistosoma mansoni | DNA topoisomerase II | 0.0036 | 0.0741 | 0.5 |
Treponema pallidum | DNA gyrase, subunit B (gyrB) | 0.0153 | 0.8682 | 0.5 |
Entamoeba histolytica | DNA topoisomerase II, putative | 0.0036 | 0.0741 | 0.5 |
Trypanosoma cruzi | mitochondrial DNA topoisomerase II, putative | 0.0088 | 0.4309 | 1 |
Giardia lamblia | DNA topoisomerase II | 0.0031 | 0.0416 | 0.5 |
Trypanosoma brucei | DNA topoisomerase ii | 0.0088 | 0.4309 | 1 |
Mycobacterium ulcerans | AraC/XylS family transcriptional regulator | 0.0172 | 1 | 1 |
Trichomonas vaginalis | DNA topoisomerase II, putative | 0.0036 | 0.0741 | 0.5 |
Mycobacterium tuberculosis | Virulence-regulating transcriptional regulator VirS (AraC/XylS family) | 0.0172 | 1 | 1 |
Trypanosoma cruzi | mitochondrial DNA topoisomerase II, putative | 0.0088 | 0.4309 | 1 |
Brugia malayi | DNA topoisomerase II, alpha isozyme | 0.0036 | 0.0741 | 0.5 |
Brugia malayi | Probable DNA topoisomerase II | 0.0036 | 0.0741 | 0.5 |
Plasmodium vivax | DNA gyrase subunit B, putative | 0.0153 | 0.8682 | 1 |
Plasmodium falciparum | DNA gyrase subunit B | 0.0153 | 0.8682 | 1 |
Mycobacterium tuberculosis | Transcriptional regulatory protein | 0.0172 | 1 | 1 |
Brugia malayi | DNA gyrase/topoisomerase IV, A subunit family protein | 0.0036 | 0.0741 | 0.5 |
Mycobacterium ulcerans | transcriptional regulatory protein | 0.0172 | 1 | 1 |
Mycobacterium ulcerans | transcriptional regulatory protein | 0.0172 | 1 | 1 |
Mycobacterium tuberculosis | Probable transcriptional regulatory protein | 0.0172 | 1 | 1 |
Echinococcus multilocularis | DNA topoisomerase 2 alpha | 0.0036 | 0.0741 | 0.5 |
Echinococcus granulosus | DNA topoisomerase 2 alpha | 0.0036 | 0.0741 | 0.5 |
Chlamydia trachomatis | DNA gyrase subunit B | 0.0153 | 0.8682 | 1 |
Toxoplasma gondii | ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein | 0.0088 | 0.4309 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 1.81 uM | Inhibition of purified Mycobacterium smegmatis GyrB at 50 to 100 uM after 100 mins by ATPase assay | ChEMBL. | 25456076 |
Inhibition (ADMET) | = 27.56 % | Cytotoxicity against mouse RAW264.7 cells assessed as reduction in cell viability at 100 uM after 72 hrs by MTT assay | ChEMBL. | 25456076 |
Inhibition (binding) | > 60 % | Inhibition of purified Mycobacterium smegmatis GyrB ATPase activity at 50 to 100 uM after 100 mins by ATPase assay | ChEMBL. | 25456076 |
MIC (functional) | = 13.72 uM | Antimicrobial activity against Mycobacterium tuberculosis H37Rv after 7 days by MABA assay | ChEMBL. | 25456076 |
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.