Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | dopamine receptor D3 | Starlite/ChEMBL | References |
Homo sapiens | histamine receptor H1 | Starlite/ChEMBL | References |
Homo sapiens | dopamine receptor D2 | Starlite/ChEMBL | References |
Homo sapiens | potassium voltage-gated channel, subfamily H (eag-related), member 2 | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Brugia malayi | hypothetical protein | dopamine receptor D3 | 400 aa | 392 aa | 19.9 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Brugia malayi | thymidylate synthase | 0.0105 | 0.1951 | 0.1809 |
Trypanosoma cruzi | hypothetical protein, conserved | 0.0056 | 0.052 | 0.0283 |
Brugia malayi | Low molecular weight phosphotyrosine protein phosphatase containing protein | 0.0183 | 0.4238 | 0.4136 |
Trichomonas vaginalis | low molecular weight protein-tyrosine-phosphatase, putative | 0.0183 | 0.4238 | 1 |
Trypanosoma cruzi | hypothetical protein, conserved | 0.0056 | 0.052 | 0.0283 |
Mycobacterium ulcerans | dihydrofolate reductase DfrA | 0.0379 | 1 | 1 |
Giardia lamblia | Low molecular weight protein-tyrosine-phosphatase | 0.0183 | 0.4238 | 0.5 |
Schistosoma mansoni | bifunctional dihydrofolate reductase-thymidylate synthase | 0.0105 | 0.1951 | 0.1707 |
Toxoplasma gondii | bifunctional dihydrofolate reductase-thymidylate synthase | 0.0276 | 0.6986 | 0.5 |
Plasmodium falciparum | bifunctional dihydrofolate reductase-thymidylate synthase | 0.0276 | 0.6986 | 0.5 |
Loa Loa (eye worm) | phosphotyrosine protein phosphatase | 0.0183 | 0.4238 | 0.4238 |
Schistosoma mansoni | dihydrofolate reductase | 0.0379 | 1 | 1 |
Mycobacterium tuberculosis | Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) | 0.0126 | 0.2581 | 0.2326 |
Brugia malayi | Dihydrofolate reductase | 0.0379 | 1 | 1 |
Schistosoma mansoni | hypothetical protein | 0.0166 | 0.3732 | 0.3543 |
Mycobacterium tuberculosis | Probable thymidylate synthase ThyA (ts) (TSASE) | 0.0105 | 0.1951 | 0.1674 |
Plasmodium vivax | bifunctional dihydrofolate reductase-thymidylate synthase, putative | 0.0276 | 0.6986 | 0.5 |
Leishmania major | dihydrofolate reductase-thymidylate synthase | 0.0276 | 0.6986 | 1 |
Trichomonas vaginalis | low molecular weight protein tyrosine phosphatase, putative | 0.0183 | 0.4238 | 1 |
Echinococcus granulosus | dihydrofolate reductase | 0.0379 | 1 | 1 |
Mycobacterium leprae | DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) | 0.0379 | 1 | 1 |
Trichomonas vaginalis | low molecular weight protein-tyrosine-phosphatase, putative | 0.0183 | 0.4238 | 1 |
Loa Loa (eye worm) | dihydrofolate reductase | 0.0379 | 1 | 1 |
Chlamydia trachomatis | dihydrofolate reductase | 0.0379 | 1 | 0.5 |
Echinococcus multilocularis | thymidylate synthase | 0.0105 | 0.1951 | 0.1809 |
Trichomonas vaginalis | low molecular weight protein tyrosine phosphatase, putative | 0.0056 | 0.052 | 0.1043 |
Echinococcus multilocularis | dihydrofolate reductase | 0.0379 | 1 | 1 |
Trichomonas vaginalis | low molecular weight protein tyrosine phosphatase, putative | 0.0056 | 0.052 | 0.1043 |
Echinococcus granulosus | thymidylate synthase | 0.0105 | 0.1951 | 0.1809 |
Entamoeba histolytica | protein tyrosine phosphatase, putative | 0.0183 | 0.4238 | 0.5 |
Onchocerca volvulus | 0.0183 | 0.4238 | 1 | |
Loa Loa (eye worm) | thymidylate synthase | 0.0105 | 0.1951 | 0.1951 |
Echinococcus multilocularis | geminin | 0.0166 | 0.3732 | 0.3622 |
Trichomonas vaginalis | conserved hypothetical protein | 0.005 | 0.0332 | 0.059 |
Schistosoma mansoni | hypothetical protein | 0.0166 | 0.3732 | 0.3543 |
Trichomonas vaginalis | low molecular weight protein tyrosine phosphatase, putative | 0.0183 | 0.4238 | 1 |
Trichomonas vaginalis | low molecular weight protein tyrosine phosphatase, putative | 0.0183 | 0.4238 | 1 |
Mycobacterium tuberculosis | Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) | 0.0379 | 1 | 1 |
Trichomonas vaginalis | low molecular weight protein-tyrosine-phosphatase, putative | 0.0183 | 0.4238 | 1 |
Trypanosoma cruzi | dihydrofolate reductase-thymidylate synthase | 0.0276 | 0.6986 | 1 |
Echinococcus granulosus | geminin | 0.0166 | 0.3732 | 0.3622 |
Loa Loa (eye worm) | voltage and ligand gated potassium channel | 0.0045 | 0.0173 | 0.0173 |
Brugia malayi | hypothetical protein | 0.005 | 0.0332 | 0.0162 |
Mycobacterium ulcerans | phosphotyrosine protein phosphatase PtpA | 0.0183 | 0.4238 | 0.2841 |
Trypanosoma brucei | dihydrofolate reductase-thymidylate synthase | 0.0276 | 0.6986 | 1 |
Entamoeba histolytica | protein tyrosine phosphatase, putative | 0.0183 | 0.4238 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = -5.7 | Inhibition of human ERG | ChEMBL. | 18178090 |
Ki (functional) | = -6.4 | Antagonist activity at dopamine D3 receptor (unknown origin) by GTPgammaS binding assay | ChEMBL. | 18178090 |
Ki (functional) | < -6.1 | Antagonist activity at dopamine D2 receptor (unknown origin) by GTPgammaS binding assay | ChEMBL. | 18178090 |
Ki (functional) | < -5.5 | Antagonist activity at histamine H1 receptor (unknown origin) by FLIPR assay | ChEMBL. | 18178090 |
Log IC50 (binding) | = 5.7 | Inhibition of human ERG | ChEMBL. | 18178090 |
Log Ki (functional) | < 5.5 | Antagonist activity at histamine H1 receptor (unknown origin) by FLIPR assay | ChEMBL. | 18178090 |
Log Ki (functional) | < 6.1 | Antagonist activity at dopamine D2 receptor (unknown origin) by GTPgammaS binding assay | ChEMBL. | 18178090 |
Log Ki (functional) | = 6.4 | Antagonist activity at dopamine D3 receptor (unknown origin) by GTPgammaS binding assay | ChEMBL. | 18178090 |
Selectivity ratio (binding) | = 100 | Selectivity for dopamine D3 receptor (unknown origin) over dopamine D2 receptor (unknown origin) | ChEMBL. | 18178090 |
Selectivity ratio (binding) | = 100 | Selectivity for dopamine D3 receptor (unknown origin) over histamine H1 receptor (unknown origin) | ChEMBL. | 18178090 |
Selectivity ratio (binding) | = 100 | Selectivity for dopamine D3 receptor (unknown origin) over human ERG (unknown origin) | ChEMBL. | 18178090 |
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.