Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | arachidonate 15-lipoxygenase, type B | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Brugia malayi | cytochrome P450 | cytochrome P450, family 3, subfamily A, polypeptide 4 | 502 aa | 492 aa | 24.2 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Echinococcus multilocularis | hexokinase | 0.1364 | 1 | 1 |
Loa Loa (eye worm) | hexokinase type II | 0.1364 | 1 | 1 |
Brugia malayi | Hexokinase family protein | 0.0856 | 0.598 | 0.4604 |
Echinococcus multilocularis | hexokinase | 0.1364 | 1 | 1 |
Trypanosoma cruzi | hexokinase, putative | 0.1364 | 1 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0931 | 0.657 | 0.5396 |
Echinococcus multilocularis | hexokinase type 2 | 0.1364 | 1 | 1 |
Echinococcus granulosus | hexokinase | 0.1364 | 1 | 1 |
Echinococcus granulosus | hexokinase | 0.1364 | 1 | 1 |
Echinococcus granulosus | hexokinase | 0.1364 | 1 | 1 |
Brugia malayi | hexokinase type II | 0.0434 | 0.2642 | 0.0123 |
Onchocerca volvulus | 0.1364 | 1 | 1 | |
Treponema pallidum | hexokinase (hxk) | 0.1364 | 1 | 0.5 |
Entamoeba histolytica | hexokinase 2 | 0.1364 | 1 | 0.5 |
Onchocerca volvulus | 0.1364 | 1 | 1 | |
Trypanosoma brucei | hexokinase, putative | 0.1364 | 1 | 0.5 |
Echinococcus granulosus | hexokinase type 2 | 0.1364 | 1 | 1 |
Plasmodium falciparum | hexokinase | 0.1364 | 1 | 0.5 |
Toxoplasma gondii | hexokinase | 0.1364 | 1 | 0.5 |
Schistosoma mansoni | lipoxygenase | 0.0142 | 0.0339 | 0.0339 |
Leishmania major | hexokinase, putative | 0.1364 | 1 | 0.5 |
Onchocerca volvulus | 0.1364 | 1 | 1 | |
Echinococcus multilocularis | hexokinase | 0.1364 | 1 | 1 |
Loa Loa (eye worm) | hexokinase | 0.1364 | 1 | 1 |
Schistosoma mansoni | hexokinase | 0.1364 | 1 | 1 |
Loa Loa (eye worm) | hexokinase | 0.1364 | 1 | 1 |
Trypanosoma brucei | hexokinase | 0.1364 | 1 | 0.5 |
Trypanosoma cruzi | hexokinase, putative | 0.1364 | 1 | 0.5 |
Plasmodium vivax | hexokinase, putative | 0.1364 | 1 | 0.5 |
Loa Loa (eye worm) | hexokinase | 0.0856 | 0.598 | 0.4604 |
Entamoeba histolytica | hexokinase 1 | 0.1364 | 1 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0434 | 0.2642 | 0.0123 |
Trypanosoma brucei | hexokinase | 0.1364 | 1 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0434 | 0.2642 | 0.0123 |
Leishmania major | hexokinase, putative | 0.1364 | 1 | 0.5 |
Brugia malayi | Hexokinase family protein | 0.1364 | 1 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Potency (ADMET) | = 1.9953 um | PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
Potency (ADMET) | = 1.9953 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
Potency (functional) | 10 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] | ChEMBL. | No reference |
Potency (functional) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] | ChEMBL. | No reference |
Potency (binding) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] | ChEMBL. | No reference |
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.