Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Loa Loa (eye worm) | FAD binding domain-containing protein | 0.0205182 | 0.0186786 | 1 |
Trypanosoma cruzi | cytochrome P450 reductase, putative | 0.0205182 | 0.0186786 | 0.5 |
Echinococcus granulosus | NADPH dependent diflavin oxidoreductase 1 | 0.0205182 | 0.0186786 | 1 |
Mycobacterium ulcerans | pantoate--beta-alanine ligase | 0.491126 | 1 | 1 |
Giardia lamblia | Nitric oxide synthase, inducible | 0.0188242 | 0.0151462 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0205182 | 0.0186786 | 1 |
Schistosoma mansoni | 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase | 0.0132546 | 0.00353238 | 0.189114 |
Trypanosoma cruzi | cytochrome P450 reductase, putative | 0.0205182 | 0.0186786 | 0.5 |
Trypanosoma cruzi | p450 reductase, putative | 0.0205182 | 0.0186786 | 0.5 |
Brugia malayi | FAD binding domain containing protein | 0.0205182 | 0.0186786 | 1 |
Trichomonas vaginalis | sulfite reductase, putative | 0.0205182 | 0.0186786 | 1 |
Trypanosoma brucei | NADPH-dependent diflavin oxidoreductase 1 | 0.0205182 | 0.0186786 | 0.5 |
Mycobacterium leprae | Probable pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) | 0.491126 | 1 | 0.5 |
Echinococcus multilocularis | NADPH cytochrome P450 reductase | 0.0205182 | 0.0186786 | 1 |
Giardia lamblia | Hypothetical protein | 0.0188242 | 0.0151462 | 0.5 |
Mycobacterium tuberculosis | Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) | 0.491126 | 1 | 0.5 |
Schistosoma mansoni | cytochrome P450 reductase | 0.0205182 | 0.0186786 | 1 |
Plasmodium falciparum | nitric oxide synthase, putative | 0.0205182 | 0.0186786 | 0.5 |
Plasmodium vivax | NADPH-cytochrome p450 reductase, putative | 0.0205182 | 0.0186786 | 1 |
Brugia malayi | flavodoxin family protein | 0.0205182 | 0.0186786 | 1 |
Echinococcus granulosus | NADPH cytochrome P450 reductase | 0.0205182 | 0.0186786 | 1 |
Toxoplasma gondii | pantoate-beta-alanine ligase | 0.491126 | 1 | 0.5 |
Leishmania major | NADPH-cytochrome p450 reductase-like protein | 0.0205182 | 0.0186786 | 1 |
Trypanosoma brucei | NADPH--cytochrome P450 reductase, putative | 0.0205182 | 0.0186786 | 0.5 |
Trypanosoma cruzi | NADPH-dependent FMN/FAD containing oxidoreductase, putative | 0.0205182 | 0.0186786 | 0.5 |
Echinococcus multilocularis | NADPH dependent diflavin oxidoreductase 1 | 0.0205182 | 0.0186786 | 1 |
Chlamydia trachomatis | sulfite reductase | 0.0132546 | 0.00353238 | 0.5 |
Trypanosoma brucei | NADPH-cytochrome p450 reductase, putative | 0.0205182 | 0.0186786 | 0.5 |
Leishmania major | p450 reductase, putative | 0.0205182 | 0.0186786 | 1 |
Trypanosoma brucei | NADPH--cytochrome P450 reductase, putative | 0.0205182 | 0.0186786 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
EC50 (functional) | = 0.023 uM | Antitrypanosomal activity against multidrug-resistant Trypanosoma brucei brucei B48 after 48 hrs by alamar blue assay | ChEMBL. | 20004045 |
EC50 (functional) | = 0.053 uM | Antitrypanosomal activity against Trypanosoma brucei brucei 427 after 48 hrs by alamar blue assay | ChEMBL. | 20004045 |
EC50 (functional) | = 0.082 uM | Antitrypanosomal activity against diminazene-resistant Trypanosoma brucei brucei deltaTbat1-KO after 48 hrs by alamar blue assay | ChEMBL. | 20004045 |
EC50 (functional) | = 8.9 uM | Antileishmanial activity against Leishmania major Friedlin promastigotes after 48 hrs by alamar blue assay | ChEMBL. | 20004045 |
EC50 (functional) | = 17 uM | Antileishmanial activity against Leishmania mexicana MNYC/BZ/62/M379 amastigotes after 48 hrs by alamar blue assay | ChEMBL. | 20004045 |
EC50 (ADMET) | = 24 uM | Cytotoxicity against HEK293 cells after 16 hrs by alamar blue assay | ChEMBL. | 20004045 |
MIC (functional) | = 25 ug ml-1 | Antimycobacterial activity against Mycobacterium tuberculosis H37Ra after 24 hrs by microtiter alamar blue assay | ChEMBL. | 20691508 |
Species name | Source | Reference | Is orphan |
---|---|---|---|
Leishmania major | ChEMBL23 | 20004045 | |
Trypanosoma brucei gambiense | 20004045 | ||
Leishmania mexicana | ChEMBL23 | 20004045 |
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.