Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Schistosoma mansoni | patched 1 | 0.0042 | 0.0967 | 0.0967 |
Loa Loa (eye worm) | hypothetical protein | 0.0053 | 0.1375 | 0.1557 |
Toxoplasma gondii | isocitrate dehydrogenase | 0.0116 | 0.3788 | 1 |
Echinococcus multilocularis | SAM and MBT domain containing protein | 0.0046 | 0.1133 | 0.1808 |
Trypanosoma cruzi | hypothetical protein, conserved | 0.0036 | 0.0733 | 0.1936 |
Loa Loa (eye worm) | hypothetical protein | 0.0145 | 0.4855 | 1 |
Mycobacterium tuberculosis | Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB | 0.0107 | 0.3419 | 0.4282 |
Entamoeba histolytica | Niemann-Pick C1 protein, putative | 0.0097 | 0.3067 | 1 |
Plasmodium falciparum | isocitrate dehydrogenase [NADP], mitochondrial | 0.0116 | 0.3788 | 1 |
Echinococcus multilocularis | NADP dependent isocitrate dehydrogenase | 0.0116 | 0.3788 | 0.6044 |
Schistosoma mansoni | myelin transcription factor 1 myt1 | 0.0053 | 0.1375 | 0.1375 |
Trypanosoma cruzi | hypothetical protein, conserved | 0.0036 | 0.0733 | 0.1936 |
Brugia malayi | beta-lactamase | 0.0036 | 0.0733 | 0.1511 |
Mycobacterium tuberculosis | NAD(P)H quinone reductase LpdA | 0.0119 | 0.3869 | 0.4845 |
Plasmodium vivax | hypothetical protein, conserved | 0.0036 | 0.0733 | 0.1936 |
Echinococcus multilocularis | isocitrate dehydrogenase 2 (NADP+) | 0.0116 | 0.3788 | 0.6044 |
Trypanosoma brucei | trypanothione reductase | 0.0047 | 0.1155 | 0.3049 |
Mycobacterium ulcerans | esterase/lipase LipP | 0.0036 | 0.0733 | 1 |
Brugia malayi | glutathione reductase | 0.0047 | 0.1155 | 0.2379 |
Trichomonas vaginalis | Clan CE, family C48, Ulp1-like cysteine peptidase | 0.0064 | 0.1818 | 1 |
Echinococcus granulosus | NADP dependent isocitrate dehydrogenase | 0.0116 | 0.3788 | 0.6044 |
Loa Loa (eye worm) | hypothetical protein | 0.0042 | 0.0967 | 0.0566 |
Onchocerca volvulus | 0.0046 | 0.1133 | 1 | |
Mycobacterium tuberculosis | Probable NADH dehydrogenase Ndh | 0.0107 | 0.3419 | 0.4282 |
Mycobacterium leprae | PROBABLE NADH DEHYDROGENASE NDH | 0.0107 | 0.3419 | 0.8565 |
Mycobacterium tuberculosis | Probable conserved lipoprotein | 0.0036 | 0.0733 | 0.0918 |
Schistosoma mansoni | family S12 unassigned peptidase (S12 family) | 0.0036 | 0.0733 | 0.0733 |
Echinococcus granulosus | Protein patched homolog 1 | 0.0042 | 0.0967 | 0.1543 |
Echinococcus multilocularis | polycomb protein SCMH1 | 0.0046 | 0.1133 | 0.1808 |
Mycobacterium ulcerans | lipase LipD | 0.0036 | 0.0733 | 1 |
Mycobacterium tuberculosis | Probable membrane NADH dehydrogenase NdhA | 0.0107 | 0.3419 | 0.4282 |
Schistosoma mansoni | hypothetical protein | 0.004 | 0.091 | 0.091 |
Wolbachia endosymbiont of Brugia malayi | dihydrolipoamide dehydrogenase E3 component | 0.0016 | 0 | 0.5 |
Mycobacterium tuberculosis | NADPH-dependent mycothiol reductase Mtr | 0.0047 | 0.1155 | 0.1446 |
Trichomonas vaginalis | D-aminoacylase, putative | 0.0036 | 0.0733 | 0.4034 |
Echinococcus multilocularis | muscleblind protein 1 | 0.0145 | 0.4855 | 0.7746 |
Echinococcus granulosus | Niemann Pick C1 protein | 0.0139 | 0.4647 | 0.7415 |
Mycobacterium ulcerans | fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE | 0.0036 | 0.0733 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0097 | 0.3067 | 0.5664 |
Schistosoma mansoni | hypothetical protein | 0.004 | 0.091 | 0.091 |
Toxoplasma gondii | ABC1 family protein | 0.0036 | 0.0733 | 0.1936 |
Schistosoma mansoni | scm-relatedprotein containing 4 mbt domains (sfmbt) | 0.0046 | 0.1133 | 0.1133 |
Echinococcus granulosus | expressed conserved protein | 0.0091 | 0.2844 | 0.4539 |
Trichomonas vaginalis | Sentrin-specific protease, putative | 0.0064 | 0.1818 | 1 |
Brugia malayi | mbt repeat family protein | 0.0046 | 0.1133 | 0.2334 |
Echinococcus multilocularis | NADP dependent isocitrate dehydrogenase | 0.0116 | 0.3788 | 0.6044 |
Loa Loa (eye worm) | hypothetical protein | 0.0046 | 0.1133 | 0.0971 |
Echinococcus granulosus | histone acetyltransferase MYST2 | 0.0053 | 0.1375 | 0.2194 |
Chlamydia trachomatis | dihydrolipoyl dehydrogenase | 0.0016 | 0 | 0.5 |
Echinococcus granulosus | thioredoxin glutathione reductase | 0.0047 | 0.1155 | 0.1843 |
Plasmodium vivax | isocitrate dehydrogenase [NADP], mitochondrial, putative | 0.0116 | 0.3788 | 1 |
Mycobacterium tuberculosis | Conserved protein | 0.0036 | 0.0733 | 0.0918 |
Loa Loa (eye worm) | abnormal chemotaxis protein 14 | 0.0042 | 0.0967 | 0.0566 |
Echinococcus multilocularis | Niemann Pick C1 protein | 0.0097 | 0.3067 | 0.4895 |
Mycobacterium tuberculosis | Probable reductase | 0.0107 | 0.3419 | 0.4282 |
Plasmodium vivax | glutathione reductase, putative | 0.0047 | 0.1155 | 0.3049 |
Mycobacterium tuberculosis | Conserved protein | 0.0036 | 0.0733 | 0.0918 |
Echinococcus granulosus | beta LACTamase domain containing family member | 0.0036 | 0.0733 | 0.117 |
Brugia malayi | C2-HC type zinc finger protein C.e-MyT1 | 0.0053 | 0.1375 | 0.2832 |
Mycobacterium tuberculosis | Putative ferredoxin reductase | 0.0107 | 0.3419 | 0.4282 |
Brugia malayi | Niemann-Pick C1 protein precursor | 0.0097 | 0.3067 | 0.6319 |
Brugia malayi | beta-lactamase family protein | 0.0036 | 0.0733 | 0.1511 |
Echinococcus granulosus | sentrin specific protease 8 | 0.0064 | 0.1818 | 0.2901 |
Echinococcus granulosus | suppression of tumorigenicity 18 protein | 0.0053 | 0.1375 | 0.2194 |
Echinococcus multilocularis | beta LACTamase domain containing family member | 0.0036 | 0.0733 | 0.117 |
Brugia malayi | mbt repeat family protein | 0.0046 | 0.1133 | 0.2334 |
Trichomonas vaginalis | esterase, putative | 0.0036 | 0.0733 | 0.4034 |
Brugia malayi | MH2 domain containing protein | 0.0142 | 0.4762 | 0.9808 |
Trypanosoma cruzi | isocitrate dehydrogenase, putative | 0.0116 | 0.3788 | 1 |
Leishmania major | isocitrate dehydrogenase [NADP], mitochondrial precursor, putative | 0.0116 | 0.3788 | 1 |
Echinococcus multilocularis | protein dispatched 1 | 0.0048 | 0.119 | 0.1899 |
Mycobacterium tuberculosis | Probable lipase LipD | 0.0036 | 0.0733 | 0.0918 |
Loa Loa (eye worm) | isocitrate dehydrogenase | 0.0116 | 0.3788 | 0.7411 |
Trypanosoma cruzi | isocitrate dehydrogenase [NADP], mitochondrial precursor, putative | 0.0116 | 0.3788 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0051 | 0.1322 | 0.1429 |
Brugia malayi | Muscleblind-like protein | 0.0145 | 0.4855 | 1 |
Treponema pallidum | NADH oxidase | 0.0016 | 0 | 0.5 |
Echinococcus multilocularis | histone lysine N methyltransferase NSD3 | 0.0032 | 0.0587 | 0.0937 |
Echinococcus multilocularis | muscleblind protein | 0.0145 | 0.4855 | 0.7746 |
Plasmodium falciparum | glutathione reductase | 0.0047 | 0.1155 | 0.3049 |
Toxoplasma gondii | thioredoxin reductase | 0.0047 | 0.1155 | 0.3049 |
Schistosoma mansoni | sex comb on midleg homolog | 0.0046 | 0.1133 | 0.1133 |
Echinococcus multilocularis | protein patched | 0.0042 | 0.0967 | 0.1543 |
Mycobacterium ulcerans | beta-lactamase | 0.0036 | 0.0733 | 1 |
Trichomonas vaginalis | penicillin-binding protein, putative | 0.0036 | 0.0733 | 0.4034 |
Brugia malayi | isocitrate dehydrogenase | 0.0116 | 0.3788 | 0.7802 |
Brugia malayi | Isocitrate dehydrogenase | 0.0116 | 0.3788 | 0.7802 |
Loa Loa (eye worm) | glutathione reductase | 0.0047 | 0.1155 | 0.1023 |
Trichomonas vaginalis | D-aminoacylase, putative | 0.0036 | 0.0733 | 0.4034 |
Echinococcus multilocularis | sterol regulatory element binding protein | 0.0042 | 0.0967 | 0.1543 |
Loa Loa (eye worm) | mbt repeat family protein | 0.0046 | 0.1133 | 0.0971 |
Echinococcus granulosus | endonuclease exonuclease phosphatase | 0.0182 | 0.6267 | 1 |
Echinococcus multilocularis | sentrin specific protease 8 | 0.0064 | 0.1818 | 0.2901 |
Toxoplasma gondii | isocitrate dehydrogenase | 0.0116 | 0.3788 | 1 |
Echinococcus multilocularis | NADP dependent isocitrate dehydrogenase | 0.0116 | 0.3788 | 0.6044 |
Loa Loa (eye worm) | transcription factor SMAD2 | 0.0142 | 0.4762 | 0.9774 |
Brugia malayi | CHE-14 protein | 0.0042 | 0.0967 | 0.1991 |
Mycobacterium tuberculosis | Probable dehydrogenase | 0.0107 | 0.3419 | 0.4282 |
Echinococcus granulosus | histone lysine N methyltransferase NSD3 | 0.0032 | 0.0587 | 0.0937 |
Trichomonas vaginalis | Clan CE, family C48, Ulp1-like cysteine peptidase | 0.0064 | 0.1818 | 1 |
Brugia malayi | Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative | 0.0036 | 0.0733 | 0.1511 |
Schistosoma mansoni | NADP-specific isocitrate dehydrogenase | 0.0116 | 0.3788 | 0.3788 |
Echinococcus granulosus | sterol regulatory element binding protein | 0.0042 | 0.0967 | 0.1543 |
Mycobacterium ulcerans | hypothetical protein | 0.0036 | 0.0733 | 1 |
Schistosoma mansoni | family C48 unassigned peptidase (C48 family) | 0.0064 | 0.1818 | 0.1818 |
Mycobacterium tuberculosis | Probable hydrolase | 0.0036 | 0.0733 | 0.0918 |
Echinococcus multilocularis | thioredoxin glutathione reductase | 0.0047 | 0.1155 | 0.1843 |
Loa Loa (eye worm) | Ulp1 protease | 0.0064 | 0.1818 | 0.2632 |
Leishmania major | hypothetical protein, conserved | 0.0036 | 0.0733 | 0.1936 |
Mycobacterium tuberculosis | Probable oxidoreductase | 0.0119 | 0.3869 | 0.4845 |
Echinococcus granulosus | muscleblind protein | 0.0145 | 0.4855 | 0.7746 |
Trypanosoma brucei | isocitrate dehydrogenase, putative | 0.0116 | 0.3788 | 1 |
Loa Loa (eye worm) | thioredoxin reductase | 0.0047 | 0.1155 | 0.1023 |
Echinococcus granulosus | polycomb protein SCMH1 | 0.0046 | 0.1133 | 0.1808 |
Brugia malayi | Ulp1 protease family, C-terminal catalytic domain containing protein | 0.0064 | 0.1818 | 0.3745 |
Mycobacterium tuberculosis | Probable esterase LipL | 0.0036 | 0.0733 | 0.0918 |
Echinococcus multilocularis | endonuclease exonuclease phosphatase | 0.0182 | 0.6267 | 1 |
Schistosoma mansoni | family S12 unassigned peptidase (S12 family) | 0.0036 | 0.0733 | 0.0733 |
Mycobacterium tuberculosis | Possible conserved lipoprotein LpqK | 0.0036 | 0.0733 | 0.0918 |
Mycobacterium tuberculosis | Possible penicillin-binding protein | 0.0228 | 0.7985 | 1 |
Brugia malayi | beta-lactamase family protein | 0.0036 | 0.0733 | 0.1511 |
Echinococcus granulosus | SAM and MBT domain containing protein | 0.0046 | 0.1133 | 0.1808 |
Wolbachia endosymbiont of Brugia malayi | dihydrolipoamide dehydrogenase E3 component | 0.0016 | 0 | 0.5 |
Mycobacterium tuberculosis | Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) | 0.0116 | 0.3788 | 0.4743 |
Schistosoma mansoni | sex comb on midleg homolog | 0.0046 | 0.1133 | 0.1133 |
Trichomonas vaginalis | Clan CE, family C48, Ulp1-like cysteine peptidase | 0.0064 | 0.1818 | 1 |
Echinococcus multilocularis | isocitrate dehydrogenase | 0.0116 | 0.3788 | 0.6044 |
Brugia malayi | Thioredoxin reductase | 0.0047 | 0.1155 | 0.2379 |
Trichomonas vaginalis | penicillin-binding protein, putative | 0.0036 | 0.0733 | 0.4034 |
Giardia lamblia | NADH oxidase lateral transfer candidate | 0.0016 | 0 | 0.5 |
Mycobacterium tuberculosis | Probable esterase/lipase LipP | 0.0036 | 0.0733 | 0.0918 |
Mycobacterium tuberculosis | Probable lipase LipE | 0.0036 | 0.0733 | 0.0918 |
Schistosoma mansoni | niemann-pick C1 (NPC1) | 0.0099 | 0.3124 | 0.3124 |
Echinococcus multilocularis | expressed conserved protein | 0.0091 | 0.2844 | 0.4539 |
Plasmodium vivax | thioredoxin reductase, putative | 0.0047 | 0.1155 | 0.3049 |
Echinococcus multilocularis | Niemann Pick C1 protein | 0.0139 | 0.4647 | 0.7415 |
Schistosoma mansoni | hypothetical protein | 0.004 | 0.091 | 0.091 |
Loa Loa (eye worm) | hypothetical protein | 0.0145 | 0.4855 | 1 |
Echinococcus multilocularis | histone acetyltransferase MYST2 | 0.0053 | 0.1375 | 0.2194 |
Mycobacterium leprae | DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE | 0.0119 | 0.3869 | 1 |
Loa Loa (eye worm) | MH2 domain-containing protein | 0.0142 | 0.4762 | 0.9774 |
Echinococcus granulosus | Niemann Pick C1 protein | 0.0097 | 0.3067 | 0.4895 |
Echinococcus multilocularis | suppression of tumorigenicity 18 protein | 0.0053 | 0.1375 | 0.2194 |
Trypanosoma brucei | hypothetical protein, conserved | 0.0036 | 0.0733 | 0.1936 |
Trypanosoma brucei | isocitrate dehydrogenase [NADP], mitochondrial precursor, putative | 0.0116 | 0.3788 | 1 |
Loa Loa (eye worm) | MBCTL1 | 0.0053 | 0.1375 | 0.1557 |
Schistosoma mansoni | hypothetical protein | 0.004 | 0.091 | 0.091 |
Onchocerca volvulus | Polycomb protein Sfmbt homolog | 0.0046 | 0.1133 | 1 |
Trypanosoma cruzi | trypanothione reductase, putative | 0.0047 | 0.1155 | 0.3049 |
Mycobacterium tuberculosis | Conserved protein | 0.0036 | 0.0733 | 0.0918 |
Leishmania major | trypanothione reductase | 0.0047 | 0.1155 | 0.3049 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0042 | 0.0967 | 0.5318 |
Mycobacterium tuberculosis | Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras | 0.0119 | 0.3869 | 0.4845 |
Plasmodium falciparum | thioredoxin reductase | 0.0047 | 0.1155 | 0.3049 |
Trypanosoma cruzi | hypothetical protein | 0.0064 | 0.1818 | 0.48 |
Trichomonas vaginalis | D-aminoacylase, putative | 0.0036 | 0.0733 | 0.4034 |
Schistosoma mansoni | SET domain protein | 0.0032 | 0.0587 | 0.0587 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Active dose range (functional) | = 20 mg uM kg-1 day-1 | Dose producing greatest increase in life span >/=25% in mice bearing lymphoid leukemia, treatment schedule is 1-5 qd; 20-80 [mg(umol)/kg] /day | ChEMBL. | 3968680 |
Active dose range (functional) | = 40 mg uM kg-1 day-1 | Dose producing greatest increase in life span >/=25% in mice bearing lymphoid leukemia, treatment schedule is 1-9 qd; 40-60 [mg(umol)/kg] /day | ChEMBL. | 3968680 |
ED50 (functional) | = 0.09 uM | In vitro cytotoxicity with cleavage by phosphodiesterase-I concentration for 50% loss of viability was determined at 72 hours. | ChEMBL. | 3968680 |
Hydrolysis (functional) | = 100 % | Percent hydrolysis by phosphodiesterase I at 24-h incubation after 30-minutes incubation. | ChEMBL. | 3968680 |
ILS (functional) | = 46 % | Percent increase in life span in mice bearing lymphoid leukemia, treatment schedule is 1-5 qd. | ChEMBL. | 3968680 |
ILS (functional) | = 105 % | Percent increase in life span in mice bearing lymphoid leukemia, treatment schedule is 1-9 qd. | ChEMBL. | 3968680 |
Optimal dose (functional) | = 40 mg uM kg day-1 | Dose producing greatest increase in life span of mice bearing lymphoid leukemia, treatment schedule is 1-5 qd. | ChEMBL. | 3968680 |
Optimal dose (functional) | = 60 mg uM kg day-1 | In vivo antitumor activity against intraperitoneally inoculated L1210 Lymphoid leukemic mice (Dose producing greatest increase in life span, treatment schedule is 1- 9 qd) | ChEMBL. | 3968680 |
Weight change (functional) | = -2.21 g mouse-1 on day 8 | In vivo antitumor activity against intraperitoneally inoculated L1210 lymphoid leukemic mice (Weight change observed on day 8.Treatment schedule is 1-9 qd) | ChEMBL. | 3968680 |
Weight change (functional) | = -0.33 g mouse-1 on day 8 | Weight change observed on day 8 in mice bearing lymphoid leukemia, treatment schedule is 1-5 qd. | ChEMBL. | 3968680 |
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.