Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | conserved helix-loop-helix ubiquitous kinase | Starlite/ChEMBL | References |
Homo sapiens | inhibitor of kappa light polypeptide gene enhancer in B-cells, kinase beta | Starlite/ChEMBL | References |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Entamoeba histolytica | type A flavoprotein, putative | 0.0293 | 0 | 0.5 |
Echinococcus multilocularis | NADPH cytochrome P450 reductase | 0.0767 | 1 | 1 |
Leishmania major | NADPH-cytochrome p450 reductase-like protein | 0.0767 | 1 | 1 |
Loa Loa (eye worm) | FAD binding domain-containing protein | 0.0767 | 1 | 1 |
Entamoeba histolytica | type A flavoprotein, putative | 0.0293 | 0 | 0.5 |
Giardia lamblia | Nitric oxide synthase, inducible | 0.0679 | 0.8159 | 0.5 |
Trypanosoma brucei | NADPH-dependent diflavin oxidoreductase 1 | 0.0767 | 1 | 1 |
Toxoplasma gondii | flavodoxin domain-containing protein | 0.038 | 0.1841 | 0.5 |
Trichomonas vaginalis | NADPH fad oxidoreductase, putative | 0.0679 | 0.8159 | 0.8159 |
Trypanosoma cruzi | cytochrome P450 reductase, putative | 0.0767 | 1 | 1 |
Trypanosoma brucei | NADPH--cytochrome P450 reductase, putative | 0.0767 | 1 | 1 |
Entamoeba histolytica | type A flavoprotein, putative | 0.0293 | 0 | 0.5 |
Trypanosoma cruzi | cytochrome P450 reductase, putative | 0.0767 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0767 | 1 | 1 |
Echinococcus granulosus | NADPH cytochrome P450 reductase | 0.0767 | 1 | 1 |
Treponema pallidum | flavodoxin | 0.0293 | 0 | 0.5 |
Schistosoma mansoni | NADPH flavin oxidoreductase | 0.0386 | 0.1964 | 0.0151 |
Schistosoma mansoni | cytochrome P450 reductase | 0.0767 | 1 | 1 |
Giardia lamblia | Hypothetical protein | 0.0679 | 0.8159 | 0.5 |
Loa Loa (eye worm) | FAD binding domain-containing protein | 0.0473 | 0.3805 | 0.3805 |
Leishmania major | cytochrome P450 reductase, putative | 0.0679 | 0.8159 | 0.8159 |
Echinococcus multilocularis | NADPH dependent diflavin oxidoreductase 1 | 0.0767 | 1 | 1 |
Trypanosoma cruzi | NADPH-dependent FMN/FAD containing oxidoreductase, putative | 0.0767 | 1 | 1 |
Plasmodium vivax | NADPH-cytochrome p450 reductase, putative | 0.0767 | 1 | 1 |
Brugia malayi | FAD binding domain containing protein | 0.0767 | 1 | 1 |
Toxoplasma gondii | flavodoxin domain-containing protein | 0.038 | 0.1841 | 0.5 |
Entamoeba histolytica | type A flavoprotein, putative | 0.0293 | 0 | 0.5 |
Trichomonas vaginalis | sulfite reductase, putative | 0.0767 | 1 | 1 |
Plasmodium vivax | flavodoxin domain containing protein | 0.0679 | 0.8159 | 0.8159 |
Chlamydia trachomatis | sulfite reductase | 0.0473 | 0.3805 | 0.5 |
Leishmania major | p450 reductase, putative | 0.0767 | 1 | 1 |
Brugia malayi | FAD binding domain containing protein | 0.0473 | 0.3805 | 0.3805 |
Mycobacterium ulcerans | formate dehydrogenase H FdhF | 0.0767 | 1 | 0.5 |
Trypanosoma brucei | NADPH-cytochrome p450 reductase, putative | 0.0767 | 1 | 1 |
Trypanosoma brucei | NADPH--cytochrome P450 reductase, putative | 0.0767 | 1 | 1 |
Schistosoma mansoni | 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase | 0.0473 | 0.3805 | 0.2407 |
Entamoeba histolytica | type A flavoprotein, putative | 0.0293 | 0 | 0.5 |
Trypanosoma cruzi | p450 reductase, putative | 0.0767 | 1 | 1 |
Plasmodium falciparum | nitric oxide synthase, putative | 0.0767 | 1 | 1 |
Echinococcus granulosus | NADPH dependent diflavin oxidoreductase 1 | 0.0767 | 1 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
clogP | = 3.16 | Calculated partition coefficient (clogP) | ChEMBL. | 14698170 |
IC50 (binding) | = 83 nM | Inhibitory activity against IKK2 | ChEMBL. | 14698170 |
IC50 (binding) | = 83 nM | Inhibitory activity against IKK2 | ChEMBL. | 14698170 |
IC50 (binding) | = 5129 nM | Inhibitory activity against IKK1 | ChEMBL. | 14698170 |
IC50 (binding) | = 5129 nM | Inhibitory activity against IKK1 | ChEMBL. | 14698170 |
S | 0 | Aqueous solubility of the compound (pH 6.5 in ug/mL), nt = not tested | ChEMBL. | 14698170 |
Selectivity (binding) | = 62 | Selectivity for IKK2/IKK1 | ChEMBL. | 14698170 |
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.