Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Echinococcus multilocularis | 3 oxoacyl acyl carrier protein reductase | 0.0063 | 0.0599 | 0.3536 |
Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0063 | 0.0599 | 0.0599 |
Mycobacterium tuberculosis | NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) | 0.0933 | 1 | 1 |
Mycobacterium tuberculosis | Possible oxidoreductase | 0.0063 | 0.0599 | 0.0599 |
Loa Loa (eye worm) | oxidoreductase | 0.0063 | 0.0599 | 0.3536 |
Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.0063 | 0.0599 | 0.0599 |
Mycobacterium ulcerans | short chain dehydrogenase | 0.0063 | 0.0599 | 0.0599 |
Mycobacterium tuberculosis | Possible oxidoreductase | 0.0063 | 0.0599 | 0.0599 |
Mycobacterium ulcerans | short chain dehydrogenase | 0.0063 | 0.0599 | 0.0599 |
Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0063 | 0.0599 | 0.3536 |
Mycobacterium tuberculosis | Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) | 0.0063 | 0.0599 | 0.0599 |
Mycobacterium ulcerans | 3-oxoacyl-ACP reductase | 0.0063 | 0.0599 | 0.0599 |
Mycobacterium leprae | POSSIBLE OXIDOREDUCTASE | 0.0063 | 0.0599 | 0.0599 |
Toxoplasma gondii | 3-ketoacyl-(acyl-carrier-protein) reductase | 0.0063 | 0.0599 | 0.0599 |
Mycobacterium ulcerans | 3-ketoacyl-ACP reductase | 0.0063 | 0.0599 | 0.0599 |
Brugia malayi | Dual specificity phosphatase, catalytic domain containing protein | 0.0165 | 0.1695 | 1 |
Toxoplasma gondii | enoyl-acyl carrier reductase ENR | 0.0933 | 1 | 1 |
Mycobacterium ulcerans | oxidoreductase | 0.0063 | 0.0599 | 0.0599 |
Mycobacterium ulcerans | short chain dehydrogenase | 0.0063 | 0.0599 | 0.0599 |
Echinococcus granulosus | 3 oxoacyl acyl carrier protein reductase | 0.0063 | 0.0599 | 0.3536 |
Mycobacterium ulcerans | 3-ketoacyl-ACP reductase | 0.0063 | 0.0599 | 0.0599 |
Mycobacterium ulcerans | short chain dehydrogenase | 0.0063 | 0.0599 | 0.0599 |
Leishmania major | dehydrogenase/oxidoreductase-like protein | 0.0063 | 0.0599 | 0.8776 |
Mycobacterium ulcerans | short chain dehydrogenase | 0.0063 | 0.0599 | 0.0599 |
Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0063 | 0.0599 | 0.0599 |
Trypanosoma cruzi | oxidoreductase-like protein, putative | 0.0071 | 0.0683 | 1 |
Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0063 | 0.0599 | 0.3536 |
Plasmodium falciparum | enoyl-acyl carrier reductase | 0.0933 | 1 | 1 |
Entamoeba histolytica | 3-oxoacyl-(acyl-carrier protein) reductase, putative | 0.0063 | 0.0599 | 1 |
Leishmania major | oxidoreductase-like protein | 0.0071 | 0.0683 | 1 |
Mycobacterium ulcerans | 3-oxoacyl-ACP reductase | 0.0063 | 0.0599 | 0.0599 |
Mycobacterium ulcerans | short chain dehydrogenase | 0.0063 | 0.0599 | 0.0599 |
Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.0063 | 0.0599 | 0.0599 |
Schistosoma mansoni | dual specificity protein phosphatase | 0.0165 | 0.1695 | 1 |
Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0063 | 0.0599 | 0.0599 |
Mycobacterium tuberculosis | Probable dehydrogenase/reductase | 0.0063 | 0.0599 | 0.0599 |
Schistosoma mansoni | dihydropteridine reductase | 0.0063 | 0.0599 | 0.3536 |
Mycobacterium ulcerans | short chain dehydrogenase | 0.0063 | 0.0599 | 0.0599 |
Mycobacterium ulcerans | short chain dehydrogenase | 0.0071 | 0.0683 | 0.0683 |
Onchocerca volvulus | 0.0063 | 0.0599 | 0.3536 | |
Onchocerca volvulus | 0.0165 | 0.1695 | 1 | |
Mycobacterium tuberculosis | Probable oxidoreductase | 0.0071 | 0.0683 | 0.0683 |
Loa Loa (eye worm) | 3-hydroxyacyl-CoA dehydrogenase type II | 0.0063 | 0.0599 | 0.3536 |
Trichomonas vaginalis | hypothetical protein | 0.0933 | 1 | 1 |
Trypanosoma cruzi | beta-ketoacyl-ACP reductase | 0.0063 | 0.0599 | 0.8776 |
Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0071 | 0.0683 | 0.0683 |
Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0071 | 0.0683 | 0.0683 |
Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0063 | 0.0599 | 0.0599 |
Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0063 | 0.0599 | 0.0599 |
Loa Loa (eye worm) | hypothetical protein | 0.0063 | 0.0599 | 0.3536 |
Mycobacterium ulcerans | short chain dehydrogenase | 0.0063 | 0.0599 | 0.0599 |
Plasmodium falciparum | 3-oxoacyl-[acyl-carrier-protein] reductase | 0.0063 | 0.0599 | 0.0599 |
Mycobacterium ulcerans | enoyl-(acyl carrier protein) reductase | 0.0933 | 1 | 1 |
Echinococcus multilocularis | dual specificity protein phosphatase | 0.0165 | 0.1695 | 1 |
Wolbachia endosymbiont of Brugia malayi | enoyl-ACP reductase | 0.0933 | 1 | 1 |
Leishmania major | dehydrogenase/oxidoreductase-like protein | 0.0063 | 0.0599 | 0.8776 |
Toxoplasma gondii | 2,4-dienoyl CoA reductase 2, peroxisomal family protein | 0.0071 | 0.0683 | 0.0683 |
Giardia lamblia | Dual specificity phosphatase, catalytic | 0.0165 | 0.1695 | 1 |
Mycobacterium ulcerans | 3-ketoacyl-ACP reductase | 0.0063 | 0.0599 | 0.0599 |
Trypanosoma brucei | oxidoreductase-like protein | 0.0071 | 0.0683 | 1 |
Mycobacterium leprae | 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI | 0.0063 | 0.0599 | 0.0599 |
Loa Loa (eye worm) | retinol dehydrogenase 12 | 0.0063 | 0.0599 | 0.3536 |
Trypanosoma brucei | beta-ketoacyl-ACP reductase | 0.0063 | 0.0599 | 0.8776 |
Mycobacterium leprae | NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) | 0.0933 | 1 | 1 |
Echinococcus granulosus | dual specificity protein phosphatase | 0.0165 | 0.1695 | 1 |
Mycobacterium tuberculosis | Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) | 0.0063 | 0.0599 | 0.0599 |
Wolbachia endosymbiont of Brugia malayi | Short-chain alcohol dehydrogenase family enzyme | 0.0063 | 0.0599 | 0.0599 |
Trypanosoma cruzi | beta-ketoacyl-ACP reductase | 0.0063 | 0.0599 | 0.8776 |
Mycobacterium ulcerans | short chain dehydrogenase | 0.0063 | 0.0599 | 0.0599 |
Trypanosoma brucei | pteridine reductase 1 | 0.0063 | 0.0599 | 0.8776 |
Leishmania major | pteridine reductase 1 | 0.0071 | 0.0683 | 1 |
Onchocerca volvulus | 0.0071 | 0.0683 | 0.403 | |
Schistosoma mansoni | 3-oxoacyl-[ACP] reductase | 0.0063 | 0.0599 | 0.3536 |
Plasmodium vivax | enoyl-acyl carrier protein reductase | 0.0933 | 1 | 1 |
Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0063 | 0.0599 | 0.0599 |
Mycobacterium ulcerans | 3-alpha-hydroxysteroid dehydrogenase | 0.0071 | 0.0683 | 0.0683 |
Mycobacterium ulcerans | 3-ketoacyl-ACP reductase | 0.0063 | 0.0599 | 0.0599 |
Loa Loa (eye worm) | dual specificity phosphatase | 0.0165 | 0.1695 | 1 |
Mycobacterium ulcerans | 20-beta-hydroxysteroid dehydrogenase FabG3 | 0.0063 | 0.0599 | 0.0599 |
Mycobacterium ulcerans | short chain dehydrogenase | 0.0063 | 0.0599 | 0.0599 |
Mycobacterium ulcerans | short chain dehydrogenase | 0.0063 | 0.0599 | 0.0599 |
Plasmodium vivax | 3-oxoacyl-[acyl-carrier-protein] reductase, putative | 0.0063 | 0.0599 | 0.0599 |
Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.0063 | 0.0599 | 0.0599 |
Toxoplasma gondii | short chain dehydrogenase family protein, putative | 0.0063 | 0.0599 | 0.0599 |
Leishmania major | 3-oxoacyl-ACP reductase, putative | 0.0063 | 0.0599 | 0.8776 |
Mycobacterium ulcerans | 3-ketoacyl-ACP reductase | 0.0063 | 0.0599 | 0.0599 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (ADMET) | = 83.51 uM | Cytotoxicity against human HepG2 cells assessed as reduction in cell viability after 24 hrs by MTS assay | ChEMBL. | 24953953 |
MIC (functional) | = 4 uM | Antimycobacterial activity against Mycobacterium tuberculosis H37Rv 331/88 assessed as complete growth inhibition after 14 days | ChEMBL. | 24953953 |
MIC (functional) | = 8 uM | Antimycobacterial activity against Mycobacterium tuberculosis H37Rv 331/88 assessed as complete growth inhibition after 21 days | ChEMBL. | 24953953 |
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.