Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Schistosoma mansoni | cathepsin D (A01 family) | 0.0799651 | 0.364509 | 0.364509 |
Echinococcus multilocularis | thymidylate synthase | 0.133683 | 0.635792 | 0.732625 |
Schistosoma mansoni | dihydrofolate reductase | 0.0545115 | 0.235964 | 0.235964 |
Brugia malayi | Dihydrofolate reductase | 0.0545115 | 0.235964 | 0.299419 |
Chlamydia trachomatis | dihydrofolate reductase | 0.0545115 | 0.235964 | 0.5 |
Trypanosoma cruzi | dihydrofolate reductase-thymidylate synthase | 0.188194 | 0.911084 | 1 |
Schistosoma mansoni | subfamily A1A unassigned peptidase (A01 family) | 0.0206747 | 0.0650825 | 0.0650825 |
Loa Loa (eye worm) | dihydrofolate reductase | 0.0545115 | 0.235964 | 0.299419 |
Plasmodium falciparum | bifunctional dihydrofolate reductase-thymidylate synthase | 0.188194 | 0.911084 | 1 |
Toxoplasma gondii | aspartyl protease ASP1 | 0.0373681 | 0.149387 | 0.0996505 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0635967 | 0.281846 | 1 |
Schistosoma mansoni | subfamily A1A unassigned peptidase (A01 family) | 0.0206747 | 0.0650825 | 0.0650825 |
Echinococcus multilocularis | cathepsin d (lysosomal aspartyl protease) | 0.0373681 | 0.149387 | 0.155476 |
Schistosoma mansoni | subfamily A1A unassigned peptidase (A01 family) | 0.0206747 | 0.0650825 | 0.0650825 |
Plasmodium falciparum | plasmepsin IV | 0.0373681 | 0.149387 | 0.0996505 |
Brugia malayi | hypothetical protein | 0.0635967 | 0.281846 | 0.379813 |
Schistosoma mansoni | bifunctional dihydrofolate reductase-thymidylate synthase | 0.133683 | 0.635792 | 0.635792 |
Loa Loa (eye worm) | thymidylate synthase | 0.133683 | 0.635792 | 1 |
Brugia malayi | dihydrofolate reductase family protein | 0.0545115 | 0.235964 | 0.299419 |
Echinococcus multilocularis | dihydrofolate reductase | 0.0545115 | 0.235964 | 0.258204 |
Plasmodium falciparum | plasmepsin VI | 0.0373681 | 0.149387 | 0.0996505 |
Schistosoma mansoni | subfamily A1A unassigned peptidase (A01 family) | 0.0206747 | 0.0650825 | 0.0650825 |
Onchocerca volvulus | 0.133683 | 0.635792 | 1 | |
Loa Loa (eye worm) | integrin beta-2 | 0.0314531 | 0.119515 | 0.0953767 |
Leishmania major | dihydrofolate reductase-thymidylate synthase | 0.188194 | 0.911084 | 0.5 |
Echinococcus granulosus | integrin beta 2 | 0.0233958 | 0.0788245 | 0.0717496 |
Brugia malayi | Serotonin receptor | 0.100304 | 0.467223 | 0.704633 |
Schistosoma mansoni | subfamily A1A unassigned peptidase (A01 family) | 0.0206747 | 0.0650825 | 0.0650825 |
Plasmodium vivax | aspartyl proteinase, putative | 0.0373681 | 0.149387 | 0.0996505 |
Echinococcus granulosus | dihydrofolate reductase | 0.0545115 | 0.235964 | 0.258204 |
Schistosoma mansoni | subfamily A1A unassigned peptidase (A01 family) | 0.0206747 | 0.0650825 | 0.0650825 |
Schistosoma mansoni | subfamily A1A unassigned peptidase (A01 family) | 0.0206747 | 0.0650825 | 0.0650825 |
Toxoplasma gondii | aspartyl proteinase (eimepsin), putative | 0.0373681 | 0.149387 | 0.0996505 |
Echinococcus granulosus | cathepsin d lysosomal aspartyl protease | 0.0373681 | 0.149387 | 0.155476 |
Schistosoma mansoni | lipoxygenase | 0.0114222 | 0.0183559 | 0.0183559 |
Echinococcus granulosus | thymidylate synthase | 0.133683 | 0.635792 | 0.732625 |
Brugia malayi | thymidylate synthase | 0.133683 | 0.635792 | 1 |
Brugia malayi | Integrin beta pat-3 precursor | 0.0314531 | 0.119515 | 0.0953767 |
Schistosoma mansoni | cathepsin D (A01 family) | 0.0799651 | 0.364509 | 0.364509 |
Plasmodium vivax | plasmepsin IV, putative | 0.0373681 | 0.149387 | 0.0996505 |
Mycobacterium ulcerans | thymidylate synthase | 0.133683 | 0.635792 | 1 |
Plasmodium falciparum | plasmepsin II | 0.0373681 | 0.149387 | 0.0996505 |
Schistosoma mansoni | subfamily A1A unassigned peptidase (A01 family) | 0.0373681 | 0.149387 | 0.149387 |
Echinococcus granulosus | tm gpcr rhodopsin | 0.178303 | 0.861129 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0373681 | 0.149387 | 0.147719 |
Mycobacterium tuberculosis | Probable thymidylate synthase ThyA (ts) (TSASE) | 0.133683 | 0.635792 | 1 |
Schistosoma mansoni | integrin beta subunit | 0.0186726 | 0.0549715 | 0.0549715 |
Echinococcus multilocularis | integrin beta 2 | 0.0233958 | 0.0788245 | 0.0717496 |
Plasmodium falciparum | plasmepsin I | 0.0373681 | 0.149387 | 0.0996505 |
Schistosoma mansoni | subfamily A1A unassigned peptidase (A01 family) | 0.0206747 | 0.0650825 | 0.0650825 |
Mycobacterium tuberculosis | Hypothetical protein | 0.0635967 | 0.281846 | 0.114754 |
Plasmodium vivax | bifunctional dihydrofolate reductase-thymidylate synthase, putative | 0.188194 | 0.911084 | 1 |
Loa Loa (eye worm) | aspartic protease BmAsp-2 | 0.0373681 | 0.149387 | 0.147719 |
Trypanosoma brucei | dihydrofolate reductase-thymidylate synthase | 0.188194 | 0.911084 | 0.5 |
Toxoplasma gondii | bifunctional dihydrofolate reductase-thymidylate synthase | 0.188194 | 0.911084 | 1 |
Mycobacterium leprae | PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) | 0.133683 | 0.635792 | 1 |
Schistosoma mansoni | memapsin-2 (A01 family) | 0.205801 | 1 | 1 |
Echinococcus multilocularis | tm gpcr rhodopsin gpcr rhodopsin superfamily | 0.178303 | 0.861129 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Activity (functional) | = 36.5 % | Trypanocidal activity against Trypanosoma cruzi Y trypomastigotes infected in mouse macrophage at 2 uM | ChEMBL. | 14738383 |
Activity (functional) | = 49.2 % | Trypanocidal activity against Trypanosoma cruzi Y trypomastigotes infected in mouse macrophage at 8 uM | ChEMBL. | 14738383 |
Activity (functional) | = 55.6 % | Trypanocidal activity against Trypanosoma cruzi Y trypomastigotes infected in mouse macrophage at 32 uM | ChEMBL. | 14738383 |
Activity (ADMET) | = 103.5 % | Cytotoxicity against LPS-stimulated mouse BV2 cells assessed as cell viability after 24 hrs by MTT assay relative to control | ChEMBL. | 21936523 |
GI50 (functional) | = 58.3 uM | Cytotoxicity against human T98G cells after 72 hrs by MTT assay | ChEMBL. | 24080463 |
IC50 (functional) | > 10 uM | Cytotoxicity against human A549 cells by sulforhodamine B assay | ChEMBL. | 21936523 |
IC50 (functional) | > 10 uM | Cytotoxicity against human SKOV3 cells by sulforhodamine B assay | ChEMBL. | 21936523 |
IC50 (functional) | > 10 uM | Cytotoxicity against human SK-MEL-2 cells by sulforhodamine B assay | ChEMBL. | 21936523 |
IC50 (functional) | = 12.2 uM | Antitrypanosomal activity against Trypanosoma cruzi Y trypomastigotes infected in mouse macrophage | ChEMBL. | 14738383 |
IC50 (functional) | = 75.97 uM | Anti-neuroinflammatory activity in mouse BV2 cells assessed as inhibition of LPS-induced NO production pretreated for 30 mins before LPS-stimulation measured after 24 hrs by Griess reaction | ChEMBL. | 21936523 |
Species name | Source | Reference | Is orphan |
---|---|---|---|
Trypanosoma cruzi | ChEMBL23 | 14738383 | |
Homo sapiens | ChEMBL23 | 21936523 |
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.