Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Echinococcus multilocularis | lysosomal alpha glucosidase | 0.0164 | 1 | 1 |
Leishmania major | CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) | 0.01 | 0.499 | 1 |
Schistosoma mansoni | family U48 unassigned peptidase (U48 family) | 0.01 | 0.499 | 0.5518 |
Mycobacterium leprae | PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) | 0.0086 | 0.3841 | 0.4547 |
Toxoplasma gondii | thioredoxin reductase | 0.0048 | 0.0878 | 0.2286 |
Echinococcus granulosus | peptidase Clp S14 family | 0.0056 | 0.1535 | 0.1535 |
Trypanosoma cruzi | peptidase with unknown catalytic mechanism (family U48) | 0.01 | 0.499 | 1 |
Onchocerca volvulus | 0.0096 | 0.4687 | 0.1678 | |
Leishmania major | trypanothione reductase | 0.0048 | 0.0878 | 0.176 |
Trichomonas vaginalis | Clan U, family U48, CaaX prenyl peptidase 2-like | 0.01 | 0.499 | 1 |
Schistosoma mansoni | alpha-glucosidase | 0.0141 | 0.821 | 0.9079 |
Brugia malayi | Probable ClpP-like protease | 0.0086 | 0.3841 | 0.3841 |
Mycobacterium tuberculosis | Probable dehydrogenase | 0.0109 | 0.5657 | 0.8342 |
Echinococcus granulosus | CAAX prenyl protease 2 | 0.01 | 0.499 | 0.499 |
Toxoplasma gondii | ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein | 0.0086 | 0.3841 | 1 |
Mycobacterium tuberculosis | Probable oxidoreductase | 0.0121 | 0.6606 | 1 |
Mycobacterium tuberculosis | Probable NADH dehydrogenase Ndh | 0.0109 | 0.5657 | 0.8342 |
Mycobacterium tuberculosis | Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) | 0.0056 | 0.1535 | 0.1147 |
Mycobacterium leprae | DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE | 0.0121 | 0.6606 | 1 |
Loa Loa (eye worm) | glycosyl hydrolase family 31 protein | 0.0164 | 1 | 1 |
Echinococcus granulosus | thioredoxin glutathione reductase | 0.0048 | 0.0878 | 0.0878 |
Echinococcus multilocularis | lysosomal alpha glucosidase | 0.0164 | 1 | 1 |
Mycobacterium tuberculosis | Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) | 0.0056 | 0.1535 | 0.1147 |
Schistosoma mansoni | peptidase Clp (S14 family) | 0.0086 | 0.3841 | 0.4247 |
Brugia malayi | CAAX amino terminal protease family protein | 0.01 | 0.499 | 0.499 |
Treponema pallidum | ATP-dependent Clp protease proteolytic subunit | 0.0086 | 0.3841 | 0.5 |
Mycobacterium leprae | PROBABLE NADH DEHYDROGENASE NDH | 0.0109 | 0.5657 | 0.8128 |
Plasmodium falciparum | ATP-dependent Clp protease proteolytic subunit | 0.0086 | 0.3841 | 1 |
Entamoeba histolytica | CAAX prenyl protease family | 0.01 | 0.499 | 1 |
Mycobacterium tuberculosis | Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras | 0.0121 | 0.6606 | 1 |
Schistosoma mansoni | subfamily S1A unassigned peptidase (S01 family) | 0.0103 | 0.5213 | 0.5765 |
Mycobacterium tuberculosis | NAD(P)H quinone reductase LpdA | 0.0121 | 0.6606 | 1 |
Trypanosoma brucei | CAAX amino terminal protease, putative | 0.01 | 0.499 | 1 |
Echinococcus granulosus | ATP dependent Clp protease proteolytic subunit | 0.0086 | 0.3841 | 0.3841 |
Schistosoma mansoni | subfamily S1A unassigned peptidase (S01 family) | 0.0103 | 0.5213 | 0.5765 |
Echinococcus multilocularis | ATP dependent Clp protease proteolytic subunit | 0.0086 | 0.3841 | 0.3841 |
Chlamydia trachomatis | ATP-dependent Clp protease proteolytic subunit | 0.0086 | 0.3841 | 0.5 |
Plasmodium vivax | ATP-dependent Clp protease proteolytic subunit, putative | 0.0086 | 0.3841 | 1 |
Brugia malayi | Thioredoxin reductase | 0.0048 | 0.0878 | 0.0878 |
Brugia malayi | Trypsin family protein | 0.0103 | 0.5213 | 0.5213 |
Loa Loa (eye worm) | hypothetical protein | 0.0103 | 0.5213 | 0.5213 |
Schistosoma mansoni | family U48 unassigned peptidase (U48 family) | 0.01 | 0.499 | 0.5518 |
Mycobacterium ulcerans | ATP-dependent Clp protease proteolytic subunit | 0.0086 | 0.3841 | 0.5 |
Echinococcus multilocularis | peptidase Clp (S14 family) | 0.0056 | 0.1535 | 0.1535 |
Chlamydia trachomatis | ATP-dependent Clp protease proteolytic subunit | 0.0086 | 0.3841 | 0.5 |
Echinococcus granulosus | lysosomal alpha glucosidase | 0.0164 | 1 | 1 |
Echinococcus multilocularis | thioredoxin glutathione reductase | 0.0048 | 0.0878 | 0.0878 |
Toxoplasma gondii | ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein | 0.0086 | 0.3841 | 1 |
Onchocerca volvulus | 0.0103 | 0.5213 | 1 | |
Mycobacterium tuberculosis | Probable reductase | 0.0109 | 0.5657 | 0.8342 |
Wolbachia endosymbiont of Brugia malayi | ATP-dependent Clp protease proteolytic subunit | 0.0086 | 0.3841 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0103 | 0.5213 | 0.5213 |
Loa Loa (eye worm) | glutathione reductase | 0.0048 | 0.0878 | 0.0878 |
Trypanosoma brucei | trypanothione reductase | 0.0048 | 0.0878 | 0.176 |
Trypanosoma cruzi | trypanothione reductase, putative | 0.0048 | 0.0878 | 0.176 |
Echinococcus granulosus | arachidonate 5 lipoxygenase | 0.0056 | 0.1503 | 0.1503 |
Mycobacterium ulcerans | ATP-dependent Clp protease proteolytic subunit | 0.0086 | 0.3841 | 0.5 |
Mycobacterium tuberculosis | Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB | 0.0109 | 0.5657 | 0.8342 |
Brugia malayi | glutathione reductase | 0.0048 | 0.0878 | 0.0878 |
Schistosoma mansoni | alpha-glucosidase | 0.0141 | 0.821 | 0.9079 |
Schistosoma mansoni | lipoxygenase | 0.0056 | 0.1503 | 0.1662 |
Giardia lamblia | Hypothetical protein | 0.01 | 0.499 | 0.5 |
Mycobacterium tuberculosis | Putative ferredoxin reductase | 0.0109 | 0.5657 | 0.8342 |
Mycobacterium tuberculosis | Probable membrane NADH dehydrogenase NdhA | 0.0109 | 0.5657 | 0.8342 |
Loa Loa (eye worm) | hypothetical protein | 0.01 | 0.499 | 0.499 |
Echinococcus multilocularis | CAAX prenyl protease 2 | 0.01 | 0.499 | 0.499 |
Loa Loa (eye worm) | thioredoxin reductase | 0.0048 | 0.0878 | 0.0878 |
Echinococcus multilocularis | arachidonate 5 lipoxygenase | 0.0056 | 0.1503 | 0.1503 |
Loa Loa (eye worm) | hypothetical protein | 0.0086 | 0.3841 | 0.3841 |
Trypanosoma cruzi | CAAX prenyl protease 2, putative | 0.01 | 0.499 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (functional) | > 100 ug ml-1 | Antiprotozoal activity against promastigotes of Leishmania donovani MHOM/IN/90/GE1F8R after 72 hrs by alamar blue assay | ChEMBL. | 20472446 |
IC50 (functional) | > 100 ug ml-1 | Antiprotozoal activity against epimastigotes of Trypanosoma cruzi Y by alamar blue assay | ChEMBL. | 20472446 |
Inhibition (ADMET) | = 14 % | Cytotoxicity against human MCF7 cells assessed as growth inhibition at 10 uM after 72 hrs by MTT assay | ChEMBL. | 20472446 |
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.