Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | NAD(P)H dehydrogenase, quinone 2 | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Trichomonas vaginalis | NAD(P)H dehydrogenase, putative | NAD(P)H dehydrogenase, quinone 2 | 231 aa | 213 aa | 26.3 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Trichomonas vaginalis | NAD(P)H dehydrogenase, putative | 0.0096 | 1 | 1 |
Echinococcus granulosus | tubulin subunit beta | 0.0085 | 0.8252 | 1 |
Toxoplasma gondii | beta-1 tubulin, putative | 0.0085 | 0.8252 | 1 |
Toxoplasma gondii | beta-tubulin, putative | 0.0085 | 0.8252 | 1 |
Echinococcus multilocularis | Tubulin beta 2C chain | 0.0085 | 0.8252 | 1 |
Leishmania major | beta tubulin | 0.0085 | 0.8252 | 1 |
Echinococcus granulosus | tubulin beta 1 chain | 0.0085 | 0.8252 | 1 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0096 | 1 | 1 |
Trichomonas vaginalis | tubulin gamma chain, putative | 0.0085 | 0.8252 | 0.8252 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0096 | 1 | 1 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0096 | 1 | 1 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0096 | 1 | 1 |
Leishmania major | beta tubulin | 0.0085 | 0.8252 | 1 |
Echinococcus multilocularis | Tubulin beta 2C chain | 0.0085 | 0.8252 | 1 |
Loa Loa (eye worm) | tubulin beta-2A chain | 0.0085 | 0.8252 | 1 |
Loa Loa (eye worm) | beta-tubulin | 0.0085 | 0.8252 | 1 |
Echinococcus multilocularis | beta tubulin | 0.0085 | 0.8252 | 1 |
Loa Loa (eye worm) | tubulin beta-4 chain | 0.0085 | 0.8252 | 1 |
Trichomonas vaginalis | tubulin, putative | 0.0085 | 0.8252 | 0.8252 |
Leishmania major | beta tubulin | 0.0085 | 0.8252 | 1 |
Loa Loa (eye worm) | tubulin beta-1 chain | 0.0085 | 0.8252 | 1 |
Echinococcus granulosus | Tubulin beta 2C chain | 0.0085 | 0.8252 | 1 |
Trichomonas vaginalis | NAD(P)H dehydrogenase, putative | 0.0096 | 1 | 1 |
Leishmania major | beta tubulin | 0.0085 | 0.8252 | 1 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0096 | 1 | 1 |
Giardia lamblia | Beta tubulin | 0.0085 | 0.8252 | 0.8252 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0096 | 1 | 1 |
Schistosoma mansoni | tubulin subunit beta | 0.0085 | 0.8252 | 1 |
Leishmania major | beta tubulin | 0.0085 | 0.8252 | 1 |
Leishmania major | beta tubulin | 0.0085 | 0.8252 | 1 |
Echinococcus multilocularis | Tubulin beta 2C chain | 0.0085 | 0.8252 | 1 |
Plasmodium vivax | tubulin beta chain, putative | 0.0085 | 0.8252 | 1 |
Giardia lamblia | NADPH oxidoreductase, putative | 0.0096 | 1 | 1 |
Giardia lamblia | Beta tubulin | 0.0085 | 0.8252 | 0.8252 |
Leishmania major | beta tubulin | 0.0085 | 0.8252 | 1 |
Echinococcus multilocularis | tubulin subunit beta | 0.0085 | 0.8252 | 1 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0096 | 1 | 1 |
Leishmania major | beta tubulin | 0.0085 | 0.8252 | 1 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0096 | 1 | 1 |
Leishmania major | beta tubulin | 0.0085 | 0.8252 | 1 |
Leishmania major | beta tubulin | 0.0085 | 0.8252 | 1 |
Echinococcus granulosus | Tubulin beta 2C chain | 0.0085 | 0.8252 | 1 |
Schistosoma mansoni | tubulin subunit beta | 0.0085 | 0.8252 | 1 |
Leishmania major | beta tubulin | 0.0085 | 0.8252 | 1 |
Echinococcus granulosus | tubulin beta 4A class IVa | 0.0085 | 0.8252 | 1 |
Echinococcus granulosus | Tubulin beta 2C chain | 0.0085 | 0.8252 | 1 |
Loa Loa (eye worm) | BEN-1 protein | 0.0085 | 0.8252 | 1 |
Trypanosoma brucei | beta tubulin | 0.0085 | 0.8252 | 1 |
Loa Loa (eye worm) | tubulin beta chain | 0.0085 | 0.8252 | 1 |
Trichomonas vaginalis | tubulin epsilon chain, putative | 0.0085 | 0.8252 | 0.8252 |
Schistosoma mansoni | tubulin subunit beta | 0.0085 | 0.8252 | 1 |
Entamoeba histolytica | tubulin family protein | 0.0085 | 0.8252 | 1 |
Trichomonas vaginalis | tubulin alpha chain, putative | 0.0085 | 0.8252 | 0.8252 |
Schistosoma mansoni | tubulin subunit beta | 0.0085 | 0.8252 | 1 |
Schistosoma mansoni | tubulin subunit beta | 0.0085 | 0.8252 | 1 |
Echinococcus multilocularis | tubulin beta 1 chain | 0.0085 | 0.8252 | 1 |
Echinococcus multilocularis | tubulin, beta 4A class IVa | 0.0085 | 0.8252 | 1 |
Echinococcus granulosus | beta tubulin | 0.0085 | 0.8252 | 1 |
Brugia malayi | Tubulin beta-1 chain | 0.0085 | 0.8252 | 1 |
Toxoplasma gondii | beta tubulin | 0.0085 | 0.8252 | 1 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0096 | 1 | 1 |
Leishmania major | beta tubulin | 0.0085 | 0.8252 | 1 |
Trichomonas vaginalis | NAD(P)H dehydrogenase, putative | 0.0096 | 1 | 1 |
Loa Loa (eye worm) | BEN-1 protein | 0.0085 | 0.8252 | 1 |
Echinococcus granulosus | Tubulin beta 2C chain | 0.0085 | 0.8252 | 1 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0096 | 1 | 1 |
Echinococcus multilocularis | Tubulin beta 2C chain | 0.0085 | 0.8252 | 1 |
Trypanosoma brucei | beta tubulin | 0.0085 | 0.8252 | 1 |
Leishmania major | beta tubulin | 0.0085 | 0.8252 | 1 |
Schistosoma mansoni | tubulin subunit beta | 0.0085 | 0.8252 | 1 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0096 | 1 | 1 |
Echinococcus granulosus | beta tubulin | 0.0085 | 0.8252 | 1 |
Trypanosoma cruzi | beta tubulin, putative | 0.0085 | 0.8252 | 1 |
Trichomonas vaginalis | tubulin beta chain, putative | 0.0085 | 0.8252 | 0.8252 |
Echinococcus multilocularis | Tubulin beta 2C chain | 0.0085 | 0.8252 | 1 |
Trypanosoma brucei | beta tubulin | 0.0085 | 0.8252 | 1 |
Leishmania major | beta tubulin | 0.0085 | 0.8252 | 1 |
Plasmodium falciparum | tubulin beta chain | 0.0085 | 0.8252 | 1 |
Leishmania major | beta tubulin | 0.0085 | 0.8252 | 1 |
Trichomonas vaginalis | tubulin epsilon chain, putative | 0.0085 | 0.8252 | 0.8252 |
Echinococcus multilocularis | beta tubulin | 0.0085 | 0.8252 | 1 |
Brugia malayi | beta-tubulin, identical | 0.0085 | 0.8252 | 1 |
Leishmania major | beta tubulin | 0.0085 | 0.8252 | 1 |
Entamoeba histolytica | tubulin family protein | 0.0085 | 0.8252 | 1 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0096 | 1 | 1 |
Leishmania major | beta tubulin | 0.0085 | 0.8252 | 1 |
Echinococcus granulosus | Tubulin beta 2C chain | 0.0085 | 0.8252 | 1 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0072 | 0.6189 | 0.6189 |
Giardia lamblia | Beta tubulin | 0.0085 | 0.8252 | 0.8252 |
Trypanosoma brucei | beta tubulin | 0.0085 | 0.8252 | 1 |
Leishmania major | beta tubulin | 0.0085 | 0.8252 | 1 |
Giardia lamblia | NADPH oxidoreductase, putative | 0.0096 | 1 | 1 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0096 | 1 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Activity (ADMET) | = 88.22 % | Cytotoxicity against human SF539 cells assessed as cell growth at 10 uM | ChEMBL. | 22206487 |
Activity (ADMET) | = 96.95 % | Cytotoxicity against human HOP62 cells assessed as cell growth at 10 uM | ChEMBL. | 22206487 |
Activity (ADMET) | = 98.04 % | Cytotoxicity against human MCF7 cells assessed as cell growth at 10 uM | ChEMBL. | 22206487 |
Activity (ADMET) | = 98.89 % | Cytotoxicity against human SN12C cells assessed as cell growth at 10 uM | ChEMBL. | 22206487 |
Activity (ADMET) | = 100.09 % | Cytotoxicity against human UACC62 cells assessed as cell growth at 10 uM | ChEMBL. | 22206487 |
Activity (ADMET) | = 101.05 % | Cytotoxicity against human HCT116 cells assessed as cell growth at 10 uM | ChEMBL. | 22206487 |
Activity (ADMET) | = 114.59 % | Cytotoxicity against human DU145 cells assessed as cell growth at 10 uM | ChEMBL. | 22206487 |
Activity (ADMET) | = 115.24 % | Cytotoxicity against human OVCAR3 cells assessed as cell growth at 10 uM | ChEMBL. | 22206487 |
IC50 (binding) | = 0.061 uM | Inhibition of human quinone reductase 2 using NMeH as substrate by MTT assay | ChEMBL. | 22206487 |
Imax (binding) | = 90.3 % | Inhibition of human quinone reductase 2 using NMeH as substrate by MTT assay relative to control | ChEMBL. | 22206487 |
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.