Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | histamine receptor H1 | Starlite/ChEMBL | References |
Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | References |
Homo sapiens | cholinergic receptor, muscarinic 1 | Starlite/ChEMBL | References |
Homo sapiens | potassium voltage-gated channel, subfamily H (eag-related), member 2 | Starlite/ChEMBL | References |
Homo sapiens | cytochrome P450, family 2, subfamily D, polypeptide 6 | 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 |
---|---|---|---|---|
Brugia malayi | Cytochrome P450 family protein | 0.0019 | 0.2639 | 0.2939 |
Echinococcus multilocularis | potassium voltage gated channel subfamily H | 0.0013 | 0.1087 | 0.1211 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0019 | 0.2639 | 0.2939 |
Echinococcus multilocularis | cyclic nucleotide gated cation channel | 0.0009 | 0.0066 | 0.0074 |
Trichomonas vaginalis | voltage and ligand gated potassium channel, putative | 0.0042 | 0.8248 | 1 |
Loa Loa (eye worm) | voltage and ligand gated potassium channel | 0.0045 | 0.8979 | 1 |
Schistosoma mansoni | voltage-gated potassium channel | 0.0013 | 0.1087 | 0.1087 |
Echinococcus multilocularis | hyperpolarization activated cyclic | 0.0009 | 0.0066 | 0.0074 |
Echinococcus granulosus | potassium:sodium hyperpolarization activated | 0.0009 | 0.0066 | 0.0074 |
Schistosoma mansoni | voltage-gated potassium channel | 0.0009 | 0.0066 | 0.0066 |
Echinococcus multilocularis | potassium:sodium hyperpolarization activated | 0.0009 | 0.0066 | 0.0074 |
Schistosoma mansoni | cyclic-nucleotide-gated cation channel | 0.0009 | 0.0066 | 0.0066 |
Brugia malayi | Cyclic-nucleotide gated cation channel | 0.0009 | 0.0066 | 0.0074 |
Brugia malayi | Cytochrome P450 family protein | 0.0019 | 0.2639 | 0.2939 |
Loa Loa (eye worm) | hypothetical protein | 0.0039 | 0.7512 | 0.8366 |
Loa Loa (eye worm) | cyclic-nucleotide gated cation channel | 0.0009 | 0.0066 | 0.0074 |
Echinococcus granulosus | cyclic nucleotide gated cation channel alpha 3 | 0.0009 | 0.0066 | 0.0074 |
Echinococcus granulosus | cyclic nucleotide gated cation channel | 0.0009 | 0.0066 | 0.0074 |
Trypanosoma brucei | cytochrome P450, putative | 0.0019 | 0.2639 | 1 |
Echinococcus granulosus | cyclic nucleotide gated cation channel | 0.0009 | 0.0066 | 0.0074 |
Trypanosoma cruzi | cytochrome P450, putative | 0.0019 | 0.2639 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0009 | 0.0066 | 0.0074 |
Echinococcus multilocularis | hyperpolarization activated cyclic | 0.0009 | 0.0066 | 0.0074 |
Loa Loa (eye worm) | cyclic-nucleotide gated cation channel | 0.0009 | 0.0066 | 0.0074 |
Echinococcus granulosus | voltage gated potassium channel | 0.0013 | 0.1087 | 0.1211 |
Mycobacterium ulcerans | cytochrome P450 185A4 Cyp185A4 | 0.0019 | 0.2639 | 1 |
Echinococcus granulosus | potassium voltage gated channel subfamily H | 0.0045 | 0.8979 | 1 |
Leishmania major | cytochrome p450-like protein | 0.0019 | 0.2639 | 1 |
Echinococcus multilocularis | potassium voltage gated channel subfamily H | 0.0045 | 0.8979 | 1 |
Echinococcus granulosus | potassium voltage gated channel subfamily H | 0.0013 | 0.1087 | 0.1211 |
Schistosoma mansoni | voltage-gated potassium channel | 0.0013 | 0.1087 | 0.1087 |
Schistosoma mansoni | cyclic-nucleotide-gated cation channel | 0.0009 | 0.0066 | 0.0066 |
Echinococcus multilocularis | cyclic nucleotide gated cation channel alpha 3 | 0.0009 | 0.0066 | 0.0074 |
Trichomonas vaginalis | voltage and ligand gated potassium channel, putative | 0.0042 | 0.8248 | 1 |
Echinococcus granulosus | hyperpolarization activated cyclic | 0.0009 | 0.0066 | 0.0074 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0019 | 0.2639 | 0.2939 |
Echinococcus granulosus | hyperpolarization activated cyclic | 0.0009 | 0.0066 | 0.0074 |
Loa Loa (eye worm) | hypothetical protein | 0.0011 | 0.0507 | 0.0565 |
Loa Loa (eye worm) | CYP4Cod1 | 0.0019 | 0.2639 | 0.2939 |
Brugia malayi | Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog | 0.0045 | 0.8979 | 1 |
Schistosoma mansoni | cyclic-nucleotide-gated cation channel | 0.0009 | 0.0066 | 0.0066 |
Echinococcus multilocularis | voltage gated potassium channel | 0.0013 | 0.1087 | 0.1211 |
Trypanosoma cruzi | cytochrome P450, putative | 0.0019 | 0.2639 | 1 |
Schistosoma mansoni | hyperpolarization activated cyclic nucleotide-gated potassium channel | 0.0009 | 0.0066 | 0.0066 |
Brugia malayi | Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog | 0.0013 | 0.1087 | 0.1211 |
Schistosoma mansoni | hyperpolarization activated cyclic nucleotide-gated potassium channel | 0.0009 | 0.0066 | 0.0066 |
Loa Loa (eye worm) | hypothetical protein | 0.0013 | 0.1087 | 0.1211 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 1.5 uM | Inhibition of human ERG expressed in HEK cells assessed as blockade of potassium tail current by standard patch clamp analysis | ChEMBL. | 20188547 |
IC50 (ADMET) | = 9.5 uM | Inhibition of recombinant CYP2D6 after 30 mins by fluorescence assay | ChEMBL. | 20188547 |
IC50 (ADMET) | > 10 uM | Inhibition of recombinant CYP3A4 after 30 mins by fluorescence assay | ChEMBL. | 20188547 |
Ki (binding) | = 2.9 nM | Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells after 90 mins by scintillation counting | ChEMBL. | 20188547 |
Ki (binding) | > 5 uM | Displacement of [3H]Dofetilide from human ERG | ChEMBL. | 20188547 |
Ki (binding) | > 10 uM | Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor expressed in CHO Flp-In cells after 90 mins by scintillation counting | ChEMBL. | 20188547 |
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.