Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | No references |
Homo sapiens | thyroid stimulating hormone receptor | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 1, subfamily A, polypeptide 2 | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 9 | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Mycobacterium tuberculosis | Probable cytochrome P450 136 Cyp136 | cytochrome P450, family 2, subfamily C, polypeptide 9 | 490 aa | 441 aa | 21.8 % |
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 | hexokinase | 0.0089 | 0.0909 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0034 | 0.0146 | 0.0149 |
Loa Loa (eye worm) | nuclear hormone receptor family member nhr-31 | 0.0034 | 0.0146 | 0.0149 |
Leishmania major | hexokinase, putative | 0.0089 | 0.0909 | 1 |
Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.006 | 0.0509 | 0.0522 |
Loa Loa (eye worm) | nuclear Hormone Receptor family member | 0.0034 | 0.0146 | 0.0149 |
Loa Loa (eye worm) | hexokinase | 0.0089 | 0.0909 | 0.0932 |
Echinococcus granulosus | hexokinase | 0.0089 | 0.0909 | 1 |
Brugia malayi | Cytochrome P450 family protein | 0.0036 | 0.0172 | 0.0177 |
Brugia malayi | Nuclear hormone receptor family member nhr-3 | 0.0034 | 0.0146 | 0.0149 |
Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0055 | 0.044 | 0.386 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0036 | 0.0172 | 0.0177 |
Echinococcus multilocularis | hexokinase | 0.0089 | 0.0909 | 1 |
Brugia malayi | Ligand-binding domain of nuclear hormone receptor family protein | 0.0034 | 0.0146 | 0.0149 |
Leishmania major | hexokinase, putative | 0.0089 | 0.0909 | 1 |
Brugia malayi | Hexokinase family protein | 0.0028 | 0.0058 | 0.0059 |
Loa Loa (eye worm) | hypothetical protein | 0.0034 | 0.0146 | 0.0149 |
Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0055 | 0.044 | 0.386 |
Brugia malayi | Nuclear hormone receptor family member nhr-14 | 0.0034 | 0.0146 | 0.0149 |
Brugia malayi | GTP-binding regulatory protein Gs alpha-S chain, putative | 0.0055 | 0.044 | 0.0451 |
Trypanosoma cruzi | hexokinase, putative | 0.0089 | 0.0909 | 1 |
Loa Loa (eye worm) | GTP-binding regulatory protein Gs alpha-S chain | 0.0055 | 0.044 | 0.0451 |
Brugia malayi | Nuclear hormone receptor family member nhr-49 | 0.0034 | 0.0146 | 0.0149 |
Brugia malayi | Hexokinase family protein | 0.0056 | 0.045 | 0.0461 |
Brugia malayi | nuclear receptor NHR-88 | 0.0034 | 0.0146 | 0.0149 |
Onchocerca volvulus | 0.0089 | 0.0909 | 0.0774 | |
Echinococcus multilocularis | hexokinase | 0.0089 | 0.0909 | 1 |
Brugia malayi | hexokinase | 0.0089 | 0.0909 | 0.0932 |
Schistosoma mansoni | hypothetical protein | 0.0041 | 0.0245 | 0.1309 |
Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.006 | 0.0509 | 0.0522 |
Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 0.044 | 0.386 |
Loa Loa (eye worm) | nuclear hormone receptor family member nhr-1 | 0.0034 | 0.0146 | 0.0149 |
Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0055 | 0.044 | 0.386 |
Loa Loa (eye worm) | nuclear receptor nhr-7B | 0.0729 | 0.9752 | 1 |
Brugia malayi | hexokinase type II | 0.0028 | 0.0068 | 0.007 |
Loa Loa (eye worm) | follicle stimulating hormone receptor | 0.028 | 0.3543 | 0.3633 |
Loa Loa (eye worm) | hypothetical protein | 0.0034 | 0.0146 | 0.0149 |
Brugia malayi | Nuclear hormone receptor-like 1 | 0.0034 | 0.0146 | 0.0149 |
Onchocerca volvulus | 0.0056 | 0.045 | 0.0308 | |
Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 0.044 | 0.386 |
Loa Loa (eye worm) | hypothetical protein | 0.0034 | 0.0146 | 0.0149 |
Echinococcus multilocularis | hexokinase | 0.0089 | 0.0909 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0713 | 0.9531 | 0.9773 |
Entamoeba histolytica | hexokinase 2 | 0.0089 | 0.0909 | 0.5 |
Onchocerca volvulus | Hexokinase homolog | 0.0056 | 0.045 | 0.0308 |
Loa Loa (eye worm) | nuclear hormone receptor family member nhr-49 | 0.0034 | 0.0146 | 0.0149 |
Plasmodium falciparum | hexokinase | 0.0089 | 0.0909 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0034 | 0.0146 | 0.0149 |
Loa Loa (eye worm) | hexokinase | 0.0056 | 0.045 | 0.0461 |
Echinococcus granulosus | hexokinase | 0.0089 | 0.0909 | 1 |
Loa Loa (eye worm) | nuclear hormone receptor family member nhr-14 | 0.0034 | 0.0146 | 0.0149 |
Brugia malayi | Nuclear hormone receptor family member nhr-25 | 0.0034 | 0.0146 | 0.0149 |
Brugia malayi | nuclear hormone receptor | 0.0034 | 0.0146 | 0.0149 |
Loa Loa (eye worm) | hexokinase type II | 0.0089 | 0.0909 | 0.0932 |
Plasmodium vivax | hexokinase, putative | 0.0089 | 0.0909 | 0.5 |
Schistosoma mansoni | hexokinase | 0.0089 | 0.0909 | 1 |
Brugia malayi | nuclear hormone receptor | 0.0729 | 0.9752 | 1 |
Brugia malayi | Nuclear hormone receptor family member nhr-31 | 0.0034 | 0.0146 | 0.0149 |
Brugia malayi | steroid hormone receptor | 0.0034 | 0.0146 | 0.0149 |
Loa Loa (eye worm) | hypothetical protein | 0.0061 | 0.0517 | 0.053 |
Onchocerca volvulus | 0.0089 | 0.0909 | 0.0774 | |
Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.006 | 0.0509 | 0.0522 |
Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0055 | 0.044 | 0.386 |
Onchocerca volvulus | 0.0089 | 0.0909 | 0.0774 | |
Loa Loa (eye worm) | hexokinase | 0.0089 | 0.0909 | 0.0932 |
Loa Loa (eye worm) | nuclear hormone receptor family member nhr-40 | 0.0034 | 0.0146 | 0.0149 |
Echinococcus granulosus | hexokinase | 0.0089 | 0.0909 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0034 | 0.0146 | 0.0149 |
Brugia malayi | Nuclear hormone receptor family member nhr-1 | 0.0034 | 0.0146 | 0.0149 |
Brugia malayi | ecdysteroid receptor | 0.0034 | 0.0146 | 0.0149 |
Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.0068 | 0.007 |
Brugia malayi | Nuclear hormone receptor family member nhr-19 | 0.0034 | 0.0146 | 0.0149 |
Loa Loa (eye worm) | hypothetical protein | 0.0034 | 0.0146 | 0.0149 |
Loa Loa (eye worm) | hexokinase | 0.0028 | 0.0058 | 0.0059 |
Loa Loa (eye worm) | steroid hormone receptor | 0.0034 | 0.0146 | 0.0149 |
Trypanosoma cruzi | hexokinase, putative | 0.0089 | 0.0909 | 1 |
Trypanosoma brucei | hexokinase | 0.0089 | 0.0909 | 1 |
Echinococcus multilocularis | hexokinase type 2 | 0.0089 | 0.0909 | 1 |
Entamoeba histolytica | hexokinase 1 | 0.0089 | 0.0909 | 0.5 |
Echinococcus granulosus | hexokinase type 2 | 0.0089 | 0.0909 | 1 |
Trypanosoma brucei | hexokinase, putative | 0.0089 | 0.0909 | 1 |
Brugia malayi | follicle stimulating hormone receptor | 0.028 | 0.3543 | 0.3633 |
Brugia malayi | latrophilin 2 splice variant baaae | 0.0041 | 0.0245 | 0.0252 |
Brugia malayi | Nuclear hormone receptor family member nhr-19 | 0.0034 | 0.0146 | 0.0149 |
Brugia malayi | Nuclear hormone receptor family member nhr-40 | 0.0034 | 0.0146 | 0.0149 |
Brugia malayi | Hexokinase family protein | 0.0089 | 0.0909 | 0.0932 |
Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.0509 | 0.0522 |
Brugia malayi | photoreceptor-specific nuclear receptor | 0.0034 | 0.0146 | 0.0149 |
Brugia malayi | Nuclear hormone receptor family member nhr-25 | 0.0034 | 0.0146 | 0.0149 |
Loa Loa (eye worm) | nuclear hormone receptor family member nhr-41 | 0.0034 | 0.0146 | 0.0149 |
Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.0068 | 0.007 |
Loa Loa (eye worm) | hypothetical protein | 0.0034 | 0.0146 | 0.0149 |
Loa Loa (eye worm) | hypothetical protein | 0.0041 | 0.0245 | 0.0252 |
Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 0.044 | 0.386 |
Treponema pallidum | hexokinase (hxk) | 0.0089 | 0.0909 | 0.5 |
Brugia malayi | Ligand-binding domain of nuclear hormone receptor family protein | 0.0034 | 0.0146 | 0.0149 |
Brugia malayi | Steroid receptor seven-up type 2 | 0.0034 | 0.0146 | 0.0149 |
Trypanosoma brucei | hexokinase | 0.0089 | 0.0909 | 1 |
Brugia malayi | Nuclear hormone receptor family member nhr-41 | 0.0034 | 0.0146 | 0.0149 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
AC50 (functional) | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference | |
AC50 (functional) | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference | |
AC50 (functional) | = 1.584893192 uM | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference |
AC50 (functional) | = 1.995262315 uM | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference |
AC50 (functional) | = 3.16227766 uM | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference |
Potency (ADMET) | = 1.5849 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C9. (Class of assay: confirmatory) [Related pubchem assays: 885, 884, 410 ] | ChEMBL. | No reference |
Potency (ADMET) | = 3.1623 um | PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
Potency (ADMET) | = 3.1623 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) | = 5.0119 um | PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 5.0119 um | PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (ADMET) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C19. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | 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.