Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | nitric oxide synthase 2, inducible | Starlite/ChEMBL | References |
Homo sapiens | nitric oxide synthase 1 (neuronal) | Starlite/ChEMBL | References |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Trypanosoma brucei | NADPH--cytochrome P450 reductase, putative | 0.0059 | 1 | 0.5 |
Plasmodium vivax | NADPH-cytochrome p450 reductase, putative | 0.0059 | 1 | 1 |
Echinococcus multilocularis | NADPH dependent diflavin oxidoreductase 1 | 0.0059 | 1 | 1 |
Trichomonas vaginalis | sulfite reductase, putative | 0.0059 | 1 | 1 |
Echinococcus granulosus | NADPH cytochrome P450 reductase | 0.0059 | 1 | 1 |
Toxoplasma gondii | flavodoxin domain-containing protein | 0.0029 | 0 | 0.5 |
Giardia lamblia | Hypothetical protein | 0.0052 | 0.7743 | 0.5 |
Echinococcus granulosus | NADPH dependent diflavin oxidoreductase 1 | 0.0059 | 1 | 1 |
Echinococcus multilocularis | NADPH cytochrome P450 reductase | 0.0059 | 1 | 1 |
Trypanosoma cruzi | p450 reductase, putative | 0.0059 | 1 | 0.5 |
Chlamydia trachomatis | sulfite reductase | 0.0037 | 0.2407 | 0.5 |
Schistosoma mansoni | 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase | 0.0037 | 0.2407 | 0.2407 |
Trypanosoma cruzi | NADPH-dependent FMN/FAD containing oxidoreductase, putative | 0.0059 | 1 | 0.5 |
Loa Loa (eye worm) | FAD binding domain-containing protein | 0.0059 | 1 | 1 |
Giardia lamblia | Nitric oxide synthase, inducible | 0.0052 | 0.7743 | 0.5 |
Toxoplasma gondii | flavodoxin domain-containing protein | 0.0029 | 0 | 0.5 |
Trypanosoma cruzi | cytochrome P450 reductase, putative | 0.0059 | 1 | 0.5 |
Schistosoma mansoni | NADPH flavin oxidoreductase | 0.003 | 0.0151 | 0.0151 |
Brugia malayi | FAD binding domain containing protein | 0.0059 | 1 | 1 |
Plasmodium falciparum | nitric oxide synthase, putative | 0.0059 | 1 | 0.5 |
Leishmania major | NADPH-cytochrome p450 reductase-like protein | 0.0059 | 1 | 1 |
Leishmania major | p450 reductase, putative | 0.0059 | 1 | 1 |
Mycobacterium ulcerans | formate dehydrogenase H FdhF | 0.0059 | 1 | 0.5 |
Schistosoma mansoni | cytochrome P450 reductase | 0.0059 | 1 | 1 |
Trypanosoma cruzi | cytochrome P450 reductase, putative | 0.0059 | 1 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0059 | 1 | 1 |
Trypanosoma brucei | NADPH-dependent diflavin oxidoreductase 1 | 0.0059 | 1 | 0.5 |
Trypanosoma brucei | NADPH--cytochrome P450 reductase, putative | 0.0059 | 1 | 0.5 |
Trypanosoma brucei | NADPH-cytochrome p450 reductase, putative | 0.0059 | 1 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (ADMET) | Inhibition of CYP1A2 using CEC as substrate | ChEMBL. | 21923116 | |
IC50 (ADMET) | Inhibition of CYP2C9 using MFC as substrate | ChEMBL. | 21923116 | |
IC50 (binding) | = 0.45 uM | Inhibition of human recombinant nNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 mins by liquid scintillation counting | ChEMBL. | 21923116 |
IC50 (binding) | = 0.53 uM | Inhibition of human recombinant nNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 mins by liquid scintillation counting | ChEMBL. | 21923116 |
IC50 (binding) | = 1.23 uM | Inhibition of human recombinant nNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 mins by liquid scintillation counting | ChEMBL. | 21923116 |
IC50 (binding) | = 18.4 uM | Inhibition of human recombinant iNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 mins by liquid scintillation counting | ChEMBL. | 21923116 |
IC50 (binding) | = 23.3 uM | Inhibition of human recombinant eNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 mins by liquid scintillation counting | ChEMBL. | 21923116 |
IC50 (binding) | = 33.3 uM | Inhibition of human recombinant eNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 mins by liquid scintillation counting | ChEMBL. | 21923116 |
IC50 (binding) | = 40.6 uM | Inhibition of human recombinant eNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 mins by liquid scintillation counting | ChEMBL. | 21923116 |
IC50 (ADMET) | = 49.6 uM | Inhibition of CYP2C19 using CEC as substrate | ChEMBL. | 21923116 |
IC50 (binding) | = 52.1 uM | Inhibition of human recombinant iNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 mins by liquid scintillation counting | ChEMBL. | 21923116 |
IC50 (ADMET) | > 100 uM | Inhibition of CYP2D6 using AMMC as substrate | ChEMBL. | 21923116 |
IC50 (ADMET) | = 100 uM | Inhibition of CYP3A4 using BFC as substrate | ChEMBL. | 21923116 |
IC50 (ADMET) | > 100 uM | Inhibition of CYP3A4 using BQ as substrate | ChEMBL. | 21923116 |
IC50 (binding) | = 139 uM | Inhibition of human recombinant iNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 mins by liquid scintillation counting | ChEMBL. | 21923116 |
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.