Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | nitric oxide synthase 3 (endothelial cell) | Starlite/ChEMBL | No references |
Homo sapiens | nitric oxide synthase 1 (neuronal) | Starlite/ChEMBL | No references |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Echinococcus granulosus | NADPH cytochrome P450 reductase | 0.0059 | 1 | 1 |
Loa Loa (eye worm) | FAD binding domain-containing protein | 0.0059 | 1 | 1 |
Trichomonas vaginalis | sulfite reductase, putative | 0.0059 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0059 | 1 | 1 |
Trypanosoma brucei | NADPH--cytochrome P450 reductase, putative | 0.0059 | 1 | 0.5 |
Plasmodium falciparum | nitric oxide synthase, putative | 0.0059 | 1 | 0.5 |
Mycobacterium ulcerans | formate dehydrogenase H FdhF | 0.0059 | 1 | 0.5 |
Plasmodium vivax | NADPH-cytochrome p450 reductase, putative | 0.0059 | 1 | 1 |
Trypanosoma cruzi | NADPH-dependent FMN/FAD containing oxidoreductase, putative | 0.0059 | 1 | 0.5 |
Schistosoma mansoni | NADPH flavin oxidoreductase | 0.003 | 0.0151 | 0.0151 |
Echinococcus granulosus | NADPH dependent diflavin oxidoreductase 1 | 0.0059 | 1 | 1 |
Toxoplasma gondii | flavodoxin domain-containing protein | 0.0029 | 0 | 0.5 |
Echinococcus multilocularis | NADPH cytochrome P450 reductase | 0.0059 | 1 | 1 |
Trypanosoma cruzi | cytochrome P450 reductase, putative | 0.0059 | 1 | 0.5 |
Leishmania major | p450 reductase, putative | 0.0059 | 1 | 1 |
Trypanosoma cruzi | cytochrome P450 reductase, putative | 0.0059 | 1 | 0.5 |
Leishmania major | NADPH-cytochrome p450 reductase-like protein | 0.0059 | 1 | 1 |
Chlamydia trachomatis | sulfite reductase | 0.0037 | 0.2407 | 0.5 |
Echinococcus multilocularis | NADPH dependent diflavin oxidoreductase 1 | 0.0059 | 1 | 1 |
Schistosoma mansoni | cytochrome P450 reductase | 0.0059 | 1 | 1 |
Toxoplasma gondii | flavodoxin domain-containing protein | 0.0029 | 0 | 0.5 |
Brugia malayi | FAD binding domain containing protein | 0.0059 | 1 | 1 |
Giardia lamblia | Hypothetical protein | 0.0052 | 0.7743 | 0.5 |
Trypanosoma brucei | NADPH-cytochrome p450 reductase, putative | 0.0059 | 1 | 0.5 |
Trypanosoma cruzi | p450 reductase, putative | 0.0059 | 1 | 0.5 |
Trypanosoma brucei | NADPH--cytochrome P450 reductase, putative | 0.0059 | 1 | 0.5 |
Schistosoma mansoni | 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase | 0.0037 | 0.2407 | 0.2407 |
Giardia lamblia | Nitric oxide synthase, inducible | 0.0052 | 0.7743 | 0.5 |
Trypanosoma brucei | NADPH-dependent diflavin oxidoreductase 1 | 0.0059 | 1 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 140 nM | BindingDB_Patents: Enzyme Assay. Primary stock solutions of test compounds at a concentration of 6 mM were prepared from the 2 to 5 mg powder. The primary stock solutions of each test compound were prepared freshly in distilled water on the day of study to obtain a final concentration of 6 mM. For determination of IC50 values, 12 test compound concent rations were prepared as 3-fold serial dilutions. Concentration range of test compound utilized for nNOS were 0.001 to 300 µM and for eNOS were 0.003 to 10 00 µM. The vehicle of the test compound or inhibitor was used as blank control. For non-specific activity, 100 µM L-NMMA was used. Runs using the IC50 concentration of L-NAME were done in parallel as controls. All incubations are performed in duplicate. | ChEMBL. | No reference |
IC50 (binding) | = 11500 nM | BindingDB_Patents: Enzyme Assay. Primary stock solutions of test compounds at a concentration of 6 mM were prepared from the 2 to 5 mg powder. The primary stock solutions of each test compound were prepared freshly in distilled water on the day of study to obtain a final concentration of 6 mM. For determination of IC50 values, 12 test compound concent rations were prepared as 3-fold serial dilutions. Concentration range of test compound utilized for nNOS were 0.001 to 300 uM and for eNOS were 0.003 to 10 00 uM. The vehicle of the test compound or inhibitor was used as blank control. For non-specific activity, 100 uM L-NMMA was used. Runs using the IC50 concentration of L-NAME were done in parallel as controls. All incubations are performed in duplicate. | ChEMBL. | No reference |
IC50 (binding) | = 172000 nM | BindingDB_Patents: Enzyme Assay. Recombinant human inducible NOS (iNOS) was produced in Baculovirus-infected Sf9 cells (ALEXIS). In a radiometric method, NO synthase activity was determined by measuring the conversion of [3H]L-arginine to [3H]L-citrulline. To measure iNOS, 10 uL of enzyme was added to 100 uL of 100 mM HEPES, pH=7.4, containing 1 mM CaCl2, 1 mM EDTA, 1 mM dithiothreitol, 1 uM FMN, 1 uM FAD, 10 uM tetrahydrobiopterin, 120 uM NADPH, and 100 nM CaM. To measure enzyme inhibition, a 15 uL solution of a test substance was added to the enzyme assay solution, followed by a pre-incubation time of 15 min at RT. The reaction was initiated by addition of 20 uL L-arginine containing 0.25 uCi of [3H] arginine/mL and 24 uM L-arginine. The total volume of the reaction mixture was 150 uL in every well. | ChEMBL. | No reference |
IC50 (binding) | = 172000 nM | BindingDB_Patents: Enzyme Assay. Recombinant human inducible NOS (iNOS) was produced in Baculovirus-infected Sf9 cells (ALEXIS). In a radiometric method, NO synthase activity was determined by measuring the conversion of [3H]L-arginine to [3H]L-citrulline. To measure iNOS, 10 uL of enzyme was added to 100 uL of 100 mM HEPES, pH=7.4, containing 1 mM CaCl2, 1 mM EDTA, 1 mM dithiothreitol, 1 uM FMN, 1 uM FAD, 10 uM tetrahydrobiopterin, 120 uM NADPH, and 100 nM CaM. To measure enzyme inhibition, a 15 uL solution of a test substance was added to the enzyme assay solution, followed by a pre-incubation time of 15 min at RT. The reaction was initiated by addition of 20 uL L-arginine containing 0.25 uCi of [3H] arginine/mL and 24 uM L-arginine. The total volume of the reaction mixture was 150 uL in every well. | ChEMBL. | No reference |
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.