Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Mus musculus | chemokine (C-X-C motif) receptor 3 | Starlite/ChEMBL | References |
Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | References |
Homo sapiens | cytochrome P450, family 1, subfamily A, polypeptide 2 | Starlite/ChEMBL | References |
Homo sapiens | chemokine (C-X-C motif) receptor 3 | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Brugia malayi | Cytochrome P450 family protein | cytochrome P450, family 1, subfamily A, polypeptide 2 | 516 aa | 470 aa | 26.2 % |
Brugia malayi | cytochrome P450 | cytochrome P450, family 3, subfamily A, polypeptide 4 | 502 aa | 492 aa | 24.2 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Toxoplasma gondii | bifunctional dihydrofolate reductase-thymidylate synthase | 0.1355 | 0.4756 | 0.5 |
Trypanosoma cruzi | dihydrofolate reductase-thymidylate synthase | 0.1355 | 0.4756 | 1 |
Brugia malayi | thymidylate synthase | 0.0214 | 0.0426 | 0.0426 |
Mycobacterium leprae | DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) | 0.2737 | 1 | 1 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0102 | 0 | 0.5 |
Brugia malayi | Dihydrofolate reductase | 0.2737 | 1 | 1 |
Onchocerca volvulus | 0.0214 | 0.0426 | 0.5 | |
Chlamydia trachomatis | dihydrofolate reductase | 0.2737 | 1 | 0.5 |
Loa Loa (eye worm) | dihydrofolate reductase | 0.2737 | 1 | 1 |
Echinococcus multilocularis | dihydrofolate reductase | 0.2737 | 1 | 1 |
Schistosoma mansoni | dihydrofolate reductase | 0.2737 | 1 | 1 |
Plasmodium falciparum | bifunctional dihydrofolate reductase-thymidylate synthase | 0.1355 | 0.4756 | 0.5 |
Leishmania major | dihydrofolate reductase-thymidylate synthase | 0.1355 | 0.4756 | 0.5 |
Mycobacterium tuberculosis | Probable thymidylate synthase ThyA (ts) (TSASE) | 0.0214 | 0.0426 | 0.0426 |
Trypanosoma brucei | dihydrofolate reductase-thymidylate synthase | 0.1355 | 0.4756 | 0.5 |
Mycobacterium tuberculosis | Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) | 0.2737 | 1 | 1 |
Echinococcus granulosus | dihydrofolate reductase | 0.2737 | 1 | 1 |
Plasmodium vivax | bifunctional dihydrofolate reductase-thymidylate synthase, putative | 0.1355 | 0.4756 | 0.5 |
Mycobacterium ulcerans | dihydrofolate reductase DfrA | 0.2737 | 1 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (functional) | = 6.3 | Antagonist activity at mouse recombinant CXCR3 expressed in human U2OS cells | ChEMBL. | 19014886 |
IC50 (functional) | = 7.1 | Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay | ChEMBL. | 19014886 |
IC50 (ADMET) | = 0.16 uM | Inhibition of CYP1A2 | ChEMBL. | 19014886 |
IC50 (ADMET) | = 0.32 uM | Inhibition of CYP3A4 red | ChEMBL. | 19014886 |
IC50 (binding) | > 63 uM | Binding affinity to human ERG | ChEMBL. | 19014886 |
Kd (functional) | = 7.6 | Antagonist activity at human recombinant CXCR3 receptor assessed as human IP10-induced calcium mobilization by FLIPR assay | ChEMBL. | 19014886 |
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.