Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Mycobacterium smegmatis | DNA gyrase subunit B | Starlite/ChEMBL | References |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Trypanosoma cruzi | mitochondrial DNA topoisomerase II, putative | 0.0088 | 0.4309 | 1 |
Giardia lamblia | DNA topoisomerase II | 0.0031 | 0.0416 | 0.5 |
Brugia malayi | DNA topoisomerase II, alpha isozyme | 0.0036 | 0.0741 | 0.5 |
Mycobacterium tuberculosis | Transcriptional regulatory protein (probably AraC-family) | 0.0172 | 1 | 1 |
Toxoplasma gondii | ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein | 0.0088 | 0.4309 | 1 |
Brugia malayi | Probable DNA topoisomerase II | 0.0036 | 0.0741 | 0.5 |
Plasmodium falciparum | DNA gyrase subunit B | 0.0153 | 0.8682 | 1 |
Echinococcus multilocularis | DNA topoisomerase 2 alpha | 0.0036 | 0.0741 | 0.5 |
Trichomonas vaginalis | DNA topoisomerase II, putative | 0.0036 | 0.0741 | 0.5 |
Echinococcus granulosus | DNA topoisomerase 2 alpha | 0.0036 | 0.0741 | 0.5 |
Treponema pallidum | DNA gyrase, subunit B (gyrB) | 0.0153 | 0.8682 | 0.5 |
Trypanosoma cruzi | mitochondrial DNA topoisomerase II, putative | 0.0088 | 0.4309 | 1 |
Mycobacterium ulcerans | AraC/XylS family transcriptional regulator | 0.0172 | 1 | 1 |
Plasmodium vivax | DNA gyrase subunit B, putative | 0.0153 | 0.8682 | 1 |
Loa Loa (eye worm) | TOPoisomerase family member | 0.0036 | 0.0741 | 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 |
Onchocerca volvulus | DNA topoisomerase 2 homolog | 0.0036 | 0.0741 | 0.5 |
Mycobacterium ulcerans | Ada regulatory protein AlkA | 0.0172 | 1 | 1 |
Mycobacterium ulcerans | transcriptional regulatory protein | 0.0172 | 1 | 1 |
Brugia malayi | DNA gyrase/topoisomerase IV, A subunit family protein | 0.0036 | 0.0741 | 0.5 |
Schistosoma mansoni | DNA topoisomerase II | 0.0036 | 0.0741 | 0.5 |
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 |
Mycobacterium tuberculosis | Probable transcriptional regulatory protein | 0.0172 | 1 | 1 |
Mycobacterium tuberculosis | Transcriptional regulatory protein | 0.0172 | 1 | 1 |
Mycobacterium tuberculosis | Virulence-regulating transcriptional regulator VirS (AraC/XylS family) | 0.0172 | 1 | 1 |
Mycobacterium ulcerans | transcriptional regulatory protein | 0.0172 | 1 | 1 |
Wolbachia endosymbiont of Brugia malayi | DNA gyrase, topoisomerase II, B subunit, GyrB | 0.0153 | 0.8682 | 0.5 |
Trypanosoma brucei | DNA topoisomerase ii | 0.0088 | 0.4309 | 1 |
Chlamydia trachomatis | DNA gyrase subunit B | 0.0153 | 0.8682 | 1 |
Leishmania major | mitochondrial DNA topoisomerase II | 0.0088 | 0.4309 | 1 |
Entamoeba histolytica | DNA topoisomerase II, putative | 0.0036 | 0.0741 | 0.5 |
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.