Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | coagulation factor II (thrombin) | Starlite/ChEMBL | References |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Trichomonas vaginalis | 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative | 0.0475 | 0.3504 | 1 |
Echinococcus granulosus | hydroxymethylglutaryl coenzyme A reductase | 0.1013 | 1 | 1 |
Mycobacterium ulcerans | thymidylate synthase | 0.0454 | 0.3249 | 0.3249 |
Echinococcus multilocularis | protein dispatched 1 | 0.0417 | 0.2801 | 0.2801 |
Schistosoma mansoni | patched 1 | 0.0417 | 0.2801 | 0.2801 |
Mycobacterium tuberculosis | Hypothetical protein | 0.0216 | 0.0373 | 0.1148 |
Echinococcus multilocularis | protein patched | 0.0417 | 0.2801 | 0.2801 |
Brugia malayi | CHE-14 protein | 0.0417 | 0.2801 | 0.2801 |
Onchocerca volvulus | 0.0454 | 0.3249 | 0.5 | |
Echinococcus granulosus | Niemann Pick C1 protein | 0.0417 | 0.2801 | 0.2801 |
Mycobacterium tuberculosis | Probable thymidylate synthase ThyA (ts) (TSASE) | 0.0454 | 0.3249 | 1 |
Loa Loa (eye worm) | thymidylate synthase | 0.0454 | 0.3249 | 0.3249 |
Giardia lamblia | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 0.0475 | 0.3504 | 0.5 |
Echinococcus granulosus | thymidylate synthase | 0.0454 | 0.3249 | 0.3249 |
Mycobacterium leprae | PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) | 0.0454 | 0.3249 | 1 |
Chlamydia trachomatis | dihydrofolate reductase | 0.0185 | 0 | 0.5 |
Echinococcus multilocularis | Niemann Pick C1 protein | 0.0417 | 0.2801 | 0.2801 |
Echinococcus multilocularis | sterol regulatory element binding protein | 0.0417 | 0.2801 | 0.2801 |
Trypanosoma cruzi | dihydrofolate reductase-thymidylate synthase | 0.064 | 0.5486 | 0.5311 |
Schistosoma mansoni | bifunctional dihydrofolate reductase-thymidylate synthase | 0.0454 | 0.3249 | 0.3249 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0417 | 0.2801 | 0.7755 |
Trypanosoma cruzi | 3-hydroxy-3-methylglutaryl-CoA reductase | 0.1013 | 1 | 1 |
Trypanosoma cruzi | 3-hydroxy-3-methylglutaryl-CoA reductase, putative | 0.1013 | 1 | 1 |
Leishmania major | 3-hydroxy-3-methylglutaryl-CoA reductase | 0.1013 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0417 | 0.2801 | 0.2801 |
Loa Loa (eye worm) | hypothetical protein | 0.1013 | 1 | 1 |
Trypanosoma brucei | 3-hydroxy-3-methylglutaryl-CoA reductase, putative | 0.1013 | 1 | 1 |
Mycobacterium ulcerans | hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase | 0.1013 | 1 | 1 |
Schistosoma mansoni | hydroxymethylglutaryl-CoA reductase (NADPH) | 0.1013 | 1 | 1 |
Echinococcus multilocularis | thymidylate synthase | 0.0454 | 0.3249 | 0.3249 |
Loa Loa (eye worm) | abnormal chemotaxis protein 14 | 0.0417 | 0.2801 | 0.2801 |
Brugia malayi | hypothetical protein | 0.0216 | 0.0373 | 0.0373 |
Plasmodium vivax | bifunctional dihydrofolate reductase-thymidylate synthase, putative | 0.064 | 0.5486 | 0.5 |
Echinococcus granulosus | sterol regulatory element binding protein | 0.0417 | 0.2801 | 0.2801 |
Echinococcus multilocularis | hydroxymethylglutaryl coenzyme A reductase | 0.1013 | 1 | 1 |
Toxoplasma gondii | bifunctional dihydrofolate reductase-thymidylate synthase | 0.064 | 0.5486 | 0.5 |
Schistosoma mansoni | niemann-pick C1 (NPC1) | 0.0417 | 0.2801 | 0.2801 |
Trichomonas vaginalis | 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative | 0.0475 | 0.3504 | 1 |
Echinococcus granulosus | Protein patched homolog 1 | 0.0417 | 0.2801 | 0.2801 |
Plasmodium falciparum | bifunctional dihydrofolate reductase-thymidylate synthase | 0.064 | 0.5486 | 0.5 |
Brugia malayi | thymidylate synthase | 0.0454 | 0.3249 | 0.3249 |
Trichomonas vaginalis | 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative | 0.0475 | 0.3504 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Cmax (ADMET) | Not absorbed 0 ug ml-1 | In vivo maximal concentration was calculated at 1 mg/kg in dog; Not absorbed | ChEMBL. | 11934589 |
Ki (binding) | nM | In vitro inhibitory constant against trypsin; Inactive | ChEMBL. | 11934589 |
Ki (binding) | nM | In vitro inhibitory constant against factor Xa (FXa). | ChEMBL. | 11934589 |
Ki (binding) | NA 0 nM | In vitro inhibitory constant against factor Xa (FXa). | ChEMBL. | 11934589 |
Ki (binding) | 0 nM | In vitro inhibitory constant against trypsin; Inactive | ChEMBL. | 11934589 |
Ki (binding) | = 3.6 nM | In vitro inhibitory constant against human thrombin (FIIa). | ChEMBL. | 11934589 |
Ki (binding) | = 3.6 nM | In vitro inhibitory constant against human thrombin (FIIa). | ChEMBL. | 11934589 |
pKa (binding) | = 92 | In vitro potency towards human thrombin (FIIa). | ChEMBL. | 11934589 |
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.
1 literature reference was collected for this gene.