Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Trypanosoma brucei | DNA polymerase kappa, putative | 0.0019 | 0.0239 | 0.0882 |
Leishmania major | DNA polymerase kappa, putative,DNA polymerase IV, putative | 0.0019 | 0.0239 | 0.0513 |
Mycobacterium tuberculosis | Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) | 0.0019 | 0.0239 | 0.0333 |
Trypanosoma brucei | DNA polymerase kappa, putative | 0.0019 | 0.0239 | 0.0882 |
Plasmodium falciparum | peptidyl-prolyl cis-trans isomerase FKBP35 | 0.0081 | 0.2193 | 1 |
Schistosoma mansoni | rab geranylgeranyl transferase alpha subunit | 0.0019 | 0.0239 | 0.0256 |
Giardia lamblia | 70 kDa peptidylprolyl isomerase, putative | 0.0081 | 0.2193 | 1 |
Schistosoma mansoni | cellular tumor antigen P53 | 0.0048 | 0.1148 | 0.246 |
Trichomonas vaginalis | peptidylprolyl isomerase, putative | 0.0081 | 0.2193 | 1 |
Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0126 | 0.3607 | 1 |
Toxoplasma gondii | thioredoxin reductase | 0.0046 | 0.1082 | 1 |
Plasmodium vivax | glutathione reductase, putative | 0.0046 | 0.1082 | 0.4605 |
Mycobacterium ulcerans | DNA polymerase IV | 0.0019 | 0.0239 | 0.0513 |
Trypanosoma brucei | DNA polymerase IV, putative | 0.0019 | 0.0239 | 0.0882 |
Echinococcus granulosus | terminal deoxycytidyl transferase rev1 | 0.0019 | 0.0239 | 0.0107 |
Mycobacterium tuberculosis | Probable dehydrogenase | 0.0105 | 0.2941 | 0.8837 |
Trypanosoma cruzi | DNA polymerase kappa, putative | 0.0019 | 0.0239 | 0.0513 |
Brugia malayi | FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 | 0.0081 | 0.2193 | 0.6078 |
Wolbachia endosymbiont of Brugia malayi | dihydrolipoamide dehydrogenase E3 component | 0.0016 | 0.0133 | 0.5 |
Plasmodium falciparum | glutathione reductase | 0.0046 | 0.1082 | 0.4605 |
Trypanosoma cruzi | DNA polymerase kappa, putative | 0.0019 | 0.0239 | 0.0513 |
Echinococcus multilocularis | dna polymerase eta | 0.0019 | 0.0239 | 0.0219 |
Schistosoma mansoni | immunophilin | 0.0071 | 0.1877 | 0.4227 |
Schistosoma mansoni | tar DNA-binding protein | 0.0126 | 0.3607 | 0.8422 |
Brugia malayi | TAR-binding protein | 0.0126 | 0.3607 | 1 |
Leishmania major | DNA polymerase kappa, putative | 0.0019 | 0.0239 | 0.0513 |
Brugia malayi | RNA recognition motif domain containing protein | 0.0126 | 0.3607 | 1 |
Echinococcus granulosus | tar DNA binding protein | 0.0126 | 0.3607 | 0.3521 |
Brugia malayi | RNA binding protein | 0.0126 | 0.3607 | 1 |
Mycobacterium tuberculosis | Probable NADH dehydrogenase Ndh | 0.0105 | 0.2941 | 0.8837 |
Schistosoma mansoni | immunophilin | 0.0082 | 0.223 | 0.5082 |
Brugia malayi | glutathione reductase | 0.0046 | 0.1082 | 0.2999 |
Echinococcus granulosus | dna polymerase kappa | 0.0019 | 0.0239 | 0.0107 |
Trypanosoma brucei | DNA polymerase kappa, putative | 0.0019 | 0.0239 | 0.0882 |
Trypanosoma brucei | DNA polymerase kappa, putative | 0.0019 | 0.0239 | 0.0882 |
Echinococcus multilocularis | terminal deoxycytidyl transferase rev1 | 0.0019 | 0.0239 | 0.0219 |
Echinococcus multilocularis | dna polymerase kappa | 0.0019 | 0.0239 | 0.0219 |
Leishmania major | DNA polymerase eta, putative | 0.0019 | 0.0239 | 0.0513 |
Schistosoma mansoni | terminal deoxycytidyl transferase | 0.0019 | 0.0239 | 0.0256 |
Trypanosoma brucei | DNA polymerase kappa, putative | 0.0019 | 0.0239 | 0.0882 |
Echinococcus granulosus | dna polymerase eta | 0.0019 | 0.0239 | 0.0107 |
Trypanosoma cruzi | DNA polymerase kappa, putative | 0.0019 | 0.0239 | 0.0513 |
Mycobacterium tuberculosis | NAD(P)H quinone reductase LpdA | 0.0116 | 0.331 | 1 |
Trichomonas vaginalis | DNA polymerase eta, putative | 0.0019 | 0.0239 | 0.0513 |
Loa Loa (eye worm) | glutathione reductase | 0.0046 | 0.1082 | 0.2501 |
Trypanosoma brucei | trypanothione reductase | 0.0046 | 0.1082 | 0.4814 |
Mycobacterium tuberculosis | Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras | 0.0116 | 0.331 | 1 |
Mycobacterium tuberculosis | Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB | 0.0105 | 0.2941 | 0.8837 |
Loa Loa (eye worm) | thioredoxin reductase | 0.0046 | 0.1082 | 0.2501 |
Schistosoma mansoni | immunophilin FK506 binding protein FKBP12 | 0.0081 | 0.2193 | 0.4992 |
Trypanosoma brucei | dihydrolipoamide dehydrogenase, point mutation | 0.0016 | 0.0133 | 0.0388 |
Mycobacterium tuberculosis | Probable reductase | 0.0105 | 0.2941 | 0.8837 |
Brugia malayi | FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 | 0.0081 | 0.2193 | 0.6078 |
Mycobacterium ulcerans | FK-506 binding protein, peptidyl-prolyl cis-trans isomerase | 0.0081 | 0.2193 | 1 |
Trypanosoma brucei | dihydrolipoamide dehydrogenase | 0.0016 | 0.0133 | 0.0388 |
Echinococcus multilocularis | tumor protein p63 | 0.0328 | 1 | 1 |
Trypanosoma cruzi | trypanothione reductase, putative | 0.0046 | 0.1082 | 0.4605 |
Trypanosoma brucei | DNA polymerase kappa, putative | 0.0019 | 0.0239 | 0.0882 |
Giardia lamblia | DINP protein human, muc B family | 0.0019 | 0.0239 | 0.0513 |
Plasmodium vivax | thioredoxin reductase, putative | 0.0046 | 0.1082 | 0.4605 |
Brugia malayi | dihydrolipoyl dehydrogenase, mitochondrial precursor, putative | 0.0016 | 0.0133 | 0.037 |
Entamoeba histolytica | peptidyl-prolyl cis-trans isomerase, FKBP-type, putative | 0.0082 | 0.223 | 1 |
Schistosoma mansoni | tar DNA-binding protein | 0.0126 | 0.3607 | 0.8422 |
Schistosoma mansoni | tar DNA-binding protein | 0.0126 | 0.3607 | 0.8422 |
Mycobacterium leprae | DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE | 0.0116 | 0.331 | 1 |
Brugia malayi | Thioredoxin reductase | 0.0046 | 0.1082 | 0.2999 |
Trypanosoma brucei | dihydrolipoyl dehydrogenase | 0.0016 | 0.0133 | 0.0388 |
Mycobacterium ulcerans | DNA polymerase IV | 0.0019 | 0.0239 | 0.0513 |
Loa Loa (eye worm) | hypothetical protein | 0.0048 | 0.1148 | 0.2699 |
Trypanosoma brucei | FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative | 0.0081 | 0.2193 | 1 |
Trypanosoma cruzi | peptidyl-prolyl cis-trans isomerase, putative | 0.0081 | 0.2193 | 1 |
Brugia malayi | ImpB/MucB/SamB family protein | 0.0019 | 0.0239 | 0.0663 |
Trypanosoma brucei | DNA polymerase kappa, putative | 0.0019 | 0.0239 | 0.0882 |
Trypanosoma cruzi | FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative | 0.0081 | 0.2193 | 1 |
Entamoeba histolytica | peptidyl-prolyl cis-trans isomerase, FKBP-type , putative | 0.0082 | 0.223 | 1 |
Trypanosoma brucei | DNA polymerase kappa, putative | 0.0019 | 0.0239 | 0.0882 |
Schistosoma mansoni | tar DNA-binding protein | 0.0126 | 0.3607 | 0.8422 |
Trypanosoma cruzi | DNA polymerase kappa, putative | 0.0019 | 0.0239 | 0.0513 |
Loa Loa (eye worm) | TAR-binding protein | 0.0126 | 0.3607 | 1 |
Echinococcus granulosus | peptidyl prolyl cis trans isomerase FKBP1A | 0.0081 | 0.2193 | 0.2087 |
Schistosoma mansoni | DNA polymerase eta | 0.0019 | 0.0239 | 0.0256 |
Trypanosoma cruzi | FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative | 0.0081 | 0.2193 | 1 |
Wolbachia endosymbiont of Brugia malayi | dihydrolipoamide dehydrogenase E3 component | 0.0016 | 0.0133 | 0.5 |
Echinococcus multilocularis | tar DNA binding protein | 0.0126 | 0.3607 | 0.3594 |
Trypanosoma brucei | DNA polymerase eta, putative | 0.0019 | 0.0239 | 0.0882 |
Echinococcus granulosus | thioredoxin glutathione reductase | 0.0046 | 0.1082 | 0.0961 |
Brugia malayi | ImpB/MucB/SamB family protein | 0.0019 | 0.0239 | 0.0663 |
Echinococcus multilocularis | dihydrolipoamide dehydrogenase | 0.0016 | 0.0133 | 0.0113 |
Loa Loa (eye worm) | FKBP-type peptidyl-prolyl cis-trans isomerase-12 | 0.0081 | 0.2193 | 0.58 |
Onchocerca volvulus | 0.0048 | 0.1148 | 0.5 | |
Loa Loa (eye worm) | FKBP5 protein | 0.0081 | 0.2193 | 0.58 |
Loa Loa (eye worm) | RNA binding protein | 0.0126 | 0.3607 | 1 |
Trypanosoma brucei | unspecified product | 0.0019 | 0.0239 | 0.0882 |
Trichomonas vaginalis | peptidylprolyl isomerase, putative | 0.0081 | 0.2193 | 1 |
Plasmodium vivax | 70 kDa peptidylprolyl isomerase, putative | 0.0081 | 0.2193 | 1 |
Schistosoma mansoni | tar DNA-binding protein | 0.0126 | 0.3607 | 0.8422 |
Treponema pallidum | peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) | 0.0081 | 0.2193 | 1 |
Trypanosoma cruzi | peptidyl-prolyl cis-trans isomerase, putative | 0.0081 | 0.2193 | 1 |
Trichomonas vaginalis | immunophilin, putative | 0.0081 | 0.2193 | 1 |
Trypanosoma brucei | DNA polymerase IV, putative | 0.0019 | 0.0239 | 0.0882 |
Trypanosoma brucei | peptidyl-prolyl cis-trans isomerase, putative | 0.0081 | 0.2193 | 1 |
Leishmania major | trypanothione reductase | 0.0046 | 0.1082 | 0.4605 |
Leishmania major | peptidylprolyl isomerase-like protein | 0.0081 | 0.2193 | 1 |
Mycobacterium tuberculosis | Probable membrane NADH dehydrogenase NdhA | 0.0105 | 0.2941 | 0.8837 |
Trypanosoma brucei | dihydrolipoamide dehydrogenase | 0.0016 | 0.0133 | 0.0388 |
Mycobacterium tuberculosis | NADPH-dependent mycothiol reductase Mtr | 0.0046 | 0.1082 | 0.2985 |
Chlamydia trachomatis | dihydrolipoyl dehydrogenase | 0.0016 | 0.0133 | 0.5 |
Echinococcus multilocularis | peptidyl prolyl cis trans isomerase FKBP4 | 0.0082 | 0.223 | 0.2214 |
Trypanosoma brucei | DNA polymerase IV, putative | 0.0019 | 0.0239 | 0.0882 |
Trypanosoma brucei | DNA polymerase kappa, putative | 0.0019 | 0.0239 | 0.0882 |
Leishmania major | fk506-binding protein 1-like protein | 0.0081 | 0.2193 | 1 |
Plasmodium falciparum | thioredoxin reductase | 0.0046 | 0.1082 | 0.4605 |
Trypanosoma brucei | DNA polymerase kappa, putative | 0.0019 | 0.0239 | 0.0882 |
Echinococcus multilocularis | peptidyl prolyl cis trans isomerase FKBP4 | 0.0071 | 0.1877 | 0.1861 |
Mycobacterium tuberculosis | Putative ferredoxin reductase | 0.0105 | 0.2941 | 0.8837 |
Echinococcus multilocularis | fk506 binding protein | 0.0081 | 0.2193 | 0.2177 |
Trichomonas vaginalis | DNA polymerase IV / kappa, putative | 0.0019 | 0.0239 | 0.0513 |
Giardia lamblia | FKBP-type peptidyl-prolyl cis-trans isomerase | 0.0081 | 0.2193 | 1 |
Echinococcus granulosus | peptidyl prolyl cis trans isomerase FKBP4 | 0.0071 | 0.1877 | 0.1767 |
Schistosoma mansoni | immunophilin | 0.0082 | 0.223 | 0.5082 |
Loa Loa (eye worm) | hypothetical protein | 0.007 | 0.184 | 0.4753 |
Trichomonas vaginalis | fk506-binding protein, putative | 0.0081 | 0.2193 | 1 |
Echinococcus granulosus | peptidyl prolyl cis trans isomerase FKBP4 | 0.0082 | 0.223 | 0.2125 |
Mycobacterium tuberculosis | Conserved hypothetical protein | 0.0019 | 0.0239 | 0.0333 |
Trypanosoma cruzi | DNA polymerase eta, putative | 0.0019 | 0.0239 | 0.0513 |
Mycobacterium tuberculosis | Probable oxidoreductase | 0.0116 | 0.331 | 1 |
Echinococcus multilocularis | thioredoxin glutathione reductase | 0.0046 | 0.1082 | 0.1064 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Activity (functional) | = 8.23 | Beta-blocking activity of the compound was measured by applying the stepwise linear discriminate analysis; Active | ChEMBL. | No reference |
LD50 (ADMET) | = 33.1 mg kg-1 | Compound was tested for its toxicity after intravenous administration to mice in experiment 1 | ChEMBL. | No reference |
LD50 (ADMET) | = 46.8 mg kg-1 | Compound was tested for its toxicity after intravenous administration to mice in experiment 2 | ChEMBL. | No reference |
LD50 (ADMET) | = 676 mg kg-1 | Compound was tested for its toxicity after oral administration to mice in experiment 1 | ChEMBL. | No reference |
LD50 (ADMET) | = 827.6 mg kg-1 | Compound was tested for its toxicity after oral administration to mice in experiment 2 | ChEMBL. | No reference |
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.