Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | potassium voltage-gated channel, subfamily H (eag-related), member 2 | Starlite/ChEMBL | References |
Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | References |
Homo sapiens | cytochrome P450, family 2, subfamily D, polypeptide 6 | Starlite/ChEMBL | References |
Homo sapiens | histamine receptor H1 | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Brugia malayi | cytochrome P450 | cytochrome P450, family 2, subfamily D, polypeptide 6 | 497 aa | 425 aa | 32.0 % |
Brugia malayi | cytochrome P450 | cytochrome P450, family 3, subfamily A, polypeptide 4 | 502 aa | 492 aa | 24.2 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Mycobacterium ulcerans | cytochrome P450 185A4 Cyp185A4 | 0.0019 | 0.005 | 0.5 |
Echinococcus multilocularis | voltage gated potassium channel | 0.0013 | 0.002 | 0.1145 |
Schistosoma mansoni | voltage-gated potassium channel | 0.0049 | 0.0192 | 1 |
Brugia malayi | Cytochrome P450 family protein | 0.0019 | 0.005 | 0.2887 |
Trichomonas vaginalis | voltage and ligand gated potassium channel, putative | 0.0042 | 0.0158 | 0.0158 |
Loa Loa (eye worm) | hypothetical protein | 0.0039 | 0.0144 | 0.8354 |
Echinococcus multilocularis | potassium voltage gated channel subfamily H | 0.0013 | 0.002 | 0.1145 |
Trichomonas vaginalis | voltage and ligand gated potassium channel, putative | 0.0042 | 0.0158 | 0.0158 |
Loa Loa (eye worm) | CYP4Cod1 | 0.0019 | 0.005 | 0.2887 |
Schistosoma mansoni | voltage-gated potassium channel | 0.0013 | 0.002 | 0.1028 |
Brugia malayi | Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog | 0.0013 | 0.002 | 0.1145 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0019 | 0.005 | 0.2887 |
Echinococcus granulosus | potassium voltage gated channel subfamily H | 0.0045 | 0.0172 | 1 |
Trypanosoma cruzi | cytochrome P450, putative | 0.0019 | 0.005 | 0.5 |
Schistosoma mansoni | voltage-gated potassium channel | 0.0049 | 0.0192 | 1 |
Brugia malayi | Cytochrome P450 family protein | 0.0019 | 0.005 | 0.2887 |
Echinococcus granulosus | potassium voltage gated channel subfamily H | 0.0013 | 0.002 | 0.1145 |
Trypanosoma brucei | cytochrome P450, putative | 0.0019 | 0.005 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0013 | 0.002 | 0.1145 |
Loa Loa (eye worm) | voltage and ligand gated potassium channel | 0.0045 | 0.0172 | 1 |
Schistosoma mansoni | voltage-gated potassium channel | 0.0013 | 0.002 | 0.1028 |
Leishmania major | cytochrome p450-like protein | 0.0019 | 0.005 | 0.5 |
Trichomonas vaginalis | Sialidase-1 precursor, putative | 0.2081 | 1 | 1 |
Trypanosoma cruzi | cytochrome P450, putative | 0.0019 | 0.005 | 0.5 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0019 | 0.005 | 0.2887 |
Echinococcus multilocularis | potassium voltage gated channel subfamily H | 0.0045 | 0.0172 | 1 |
Echinococcus granulosus | voltage gated potassium channel | 0.0013 | 0.002 | 0.1145 |
Loa Loa (eye worm) | hypothetical protein | 0.0011 | 0.0009 | 0.0495 |
Brugia malayi | Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog | 0.0045 | 0.0172 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (ADMET) | = 6134 nM | Inhibition of CYP2D6 | ChEMBL. | 19553115 |
IC50 (ADMET) | > 5 uM | Inhibition of CYP3A4 | ChEMBL. | 19553115 |
Ki (binding) | = 2.9 nM | Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay | ChEMBL. | 19553115 |
Ki (binding) | = 776 nM | Displacement of [3H]dofetolide from human ERG channel expressed in HEK293 cells at 37 degC by liquid scintillation assay | ChEMBL. | 19553115 |
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.