Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | coagulation factor II (thrombin) | Starlite/ChEMBL | References |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Trypanosoma brucei | NADPH--cytochrome P450 reductase, putative | 0.0101 | 1 | 1 |
Echinococcus granulosus | NADPH cytochrome P450 reductase | 0.0101 | 1 | 1 |
Entamoeba histolytica | type A flavoprotein, putative | 0.0039 | 0 | 0.5 |
Brugia malayi | FAD binding domain containing protein | 0.0101 | 1 | 1 |
Toxoplasma gondii | flavodoxin domain-containing protein | 0.005 | 0.1841 | 0.5 |
Brugia malayi | FAD binding domain containing protein | 0.0062 | 0.3805 | 0.3805 |
Treponema pallidum | flavodoxin | 0.0039 | 0 | 0.5 |
Giardia lamblia | Nitric oxide synthase, inducible | 0.0089 | 0.8159 | 0.5 |
Trichomonas vaginalis | NADPH fad oxidoreductase, putative | 0.0089 | 0.8159 | 0.8159 |
Trypanosoma brucei | NADPH--cytochrome P450 reductase, putative | 0.0101 | 1 | 1 |
Chlamydia trachomatis | sulfite reductase | 0.0062 | 0.3805 | 0.5 |
Trypanosoma cruzi | p450 reductase, putative | 0.0101 | 1 | 1 |
Entamoeba histolytica | type A flavoprotein, putative | 0.0039 | 0 | 0.5 |
Leishmania major | p450 reductase, putative | 0.0101 | 1 | 1 |
Entamoeba histolytica | type A flavoprotein, putative | 0.0039 | 0 | 0.5 |
Trypanosoma cruzi | cytochrome P450 reductase, putative | 0.0101 | 1 | 1 |
Entamoeba histolytica | type A flavoprotein, putative | 0.0039 | 0 | 0.5 |
Plasmodium falciparum | nitric oxide synthase, putative | 0.0101 | 1 | 1 |
Trypanosoma cruzi | NADPH-dependent FMN/FAD containing oxidoreductase, putative | 0.0101 | 1 | 1 |
Entamoeba histolytica | type A flavoprotein, putative | 0.0039 | 0 | 0.5 |
Schistosoma mansoni | cytochrome P450 reductase | 0.0101 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0101 | 1 | 1 |
Giardia lamblia | Hypothetical protein | 0.0089 | 0.8159 | 0.5 |
Leishmania major | cytochrome P450 reductase, putative | 0.0089 | 0.8159 | 0.8159 |
Trypanosoma brucei | NADPH-dependent diflavin oxidoreductase 1 | 0.0101 | 1 | 1 |
Trichomonas vaginalis | sulfite reductase, putative | 0.0101 | 1 | 1 |
Loa Loa (eye worm) | FAD binding domain-containing protein | 0.0062 | 0.3805 | 0.3805 |
Plasmodium vivax | flavodoxin domain containing protein | 0.0089 | 0.8159 | 0.8159 |
Echinococcus multilocularis | NADPH dependent diflavin oxidoreductase 1 | 0.0101 | 1 | 1 |
Trypanosoma brucei | NADPH-cytochrome p450 reductase, putative | 0.0101 | 1 | 1 |
Plasmodium vivax | NADPH-cytochrome p450 reductase, putative | 0.0101 | 1 | 1 |
Echinococcus granulosus | NADPH dependent diflavin oxidoreductase 1 | 0.0101 | 1 | 1 |
Mycobacterium ulcerans | formate dehydrogenase H FdhF | 0.0101 | 1 | 0.5 |
Echinococcus multilocularis | NADPH cytochrome P450 reductase | 0.0101 | 1 | 1 |
Toxoplasma gondii | flavodoxin domain-containing protein | 0.005 | 0.1841 | 0.5 |
Loa Loa (eye worm) | FAD binding domain-containing protein | 0.0101 | 1 | 1 |
Schistosoma mansoni | 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase | 0.0062 | 0.3805 | 0.2407 |
Leishmania major | NADPH-cytochrome p450 reductase-like protein | 0.0101 | 1 | 1 |
Trypanosoma cruzi | cytochrome P450 reductase, putative | 0.0101 | 1 | 1 |
Schistosoma mansoni | NADPH flavin oxidoreductase | 0.0051 | 0.1964 | 0.0151 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Cmax (ADMET) | Not absorbed 0 ug ml-1 | In vivo maximal concentration was calculated at 0.4 mg/kg in dog; Not absorbed | ChEMBL. | 11934589 |
Ki (binding) | nM | In vitro inhibitory constant against factor Xa (FXa). | ChEMBL. | 11934589 |
Ki (binding) | nM | In vitro inhibitory constant against trypsin; Inactive | 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) | = 1.9 nM | In vitro inhibitory constant against human thrombin (FIIa). | ChEMBL. | 11934589 |
Ki (binding) | = 1.9 nM | In vitro inhibitory constant against human thrombin (FIIa). | ChEMBL. | 11934589 |
pKa (binding) | = 14 | 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.