Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Rattus norvegicus | Inositol monophosphatase 1 | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 2, subfamily D, polypeptide 6 | Starlite/ChEMBL | No references |
Homo sapiens | thyroid stimulating hormone receptor | Starlite/ChEMBL | No references |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Brugia malayi | Inositol-1 | 0.0045 | 0.0402 | 0.0402 |
Mycobacterium tuberculosis | Conserved hypothetical protein | 0.0177 | 0.5816 | 1 |
Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0059 | 0.0976 | 0.106 |
Schistosoma mansoni | hypothetical protein | 0.0177 | 0.5816 | 1 |
Trichomonas vaginalis | peptide N-glycanase, putative | 0.0177 | 0.5816 | 0.6472 |
Entamoeba histolytica | myo-inositol monophosphatase, putative | 0.0045 | 0.0402 | 1 |
Trichomonas vaginalis | glucosylceramidase, putative | 0.0173 | 0.5624 | 0.6243 |
Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0059 | 0.0976 | 0.106 |
Mycobacterium tuberculosis | Conserved hypothetical protein | 0.0177 | 0.5816 | 1 |
Trypanosoma brucei | inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.0402 | 0.5 |
Trichomonas vaginalis | glucosylceramidase, putative | 0.0164 | 0.5264 | 0.5813 |
Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.0402 | 0.0691 |
Giardia lamblia | Transglutaminase/protease, putative | 0.0177 | 0.5816 | 0.5 |
Trichomonas vaginalis | glucosylceramidase, putative | 0.0164 | 0.5264 | 0.5813 |
Echinococcus granulosus | inositol monophosphatase 1 | 0.0045 | 0.0402 | 0.0691 |
Mycobacterium ulcerans | hypothetical protein | 0.0177 | 0.5816 | 1 |
Onchocerca volvulus | 0.0177 | 0.5816 | 1 | |
Trichomonas vaginalis | glucosylceramidase, putative | 0.0249 | 0.8767 | 1 |
Brugia malayi | Thioredoxin family protein | 0.0177 | 0.5816 | 0.5816 |
Mycobacterium tuberculosis | Hypothetical protein | 0.0177 | 0.5816 | 1 |
Echinococcus multilocularis | inositol monophosphatase 1 | 0.0045 | 0.0402 | 0.0691 |
Trichomonas vaginalis | glucosylceramidase, putative | 0.0164 | 0.5264 | 0.5813 |
Trichomonas vaginalis | glucosylceramidase, putative | 0.0173 | 0.5624 | 0.6243 |
Echinococcus multilocularis | aldehyde dehydrogenase, mitochondrial | 0.0059 | 0.0976 | 0.1678 |
Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.0402 | 0.5 |
Mycobacterium leprae | Conserved hypothetical protein | 0.0177 | 0.5816 | 1 |
Mycobacterium ulcerans | transglutaminase family protein | 0.0177 | 0.5816 | 1 |
Brugia malayi | O-Glycosyl hydrolase family 30 protein | 0.0249 | 0.8767 | 0.8767 |
Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.0402 | 0.5 |
Giardia lamblia | Hypothetical protein | 0.0177 | 0.5816 | 0.5 |
Trichomonas vaginalis | glucosylceramidase, putative | 0.0249 | 0.8767 | 1 |
Loa Loa (eye worm) | O-glycosyl hydrolase family 30 protein | 0.0249 | 0.8767 | 0.8715 |
Trichomonas vaginalis | glucosylceramidase, putative | 0.0249 | 0.8767 | 1 |
Wolbachia endosymbiont of Brugia malayi | fructose-1,6-bisphosphatase | 0.0045 | 0.0402 | 0.5 |
Trichomonas vaginalis | glucosylceramidase, putative | 0.0249 | 0.8767 | 1 |
Schistosoma mansoni | aldehyde dehydrogenase | 0.0059 | 0.0976 | 0.1678 |
Leishmania major | aldehyde dehydrogenase, mitochondrial precursor | 0.0059 | 0.0976 | 1 |
Mycobacterium tuberculosis | Long conserved protein | 0.0177 | 0.5816 | 1 |
Echinococcus multilocularis | Transglutaminase | 0.0177 | 0.5816 | 1 |
Mycobacterium leprae | Conserved hypothetical protein | 0.0177 | 0.5816 | 1 |
Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.0402 | 0.0691 |
Mycobacterium ulcerans | putative transglutaminase-like protein | 0.0177 | 0.5816 | 1 |
Trichomonas vaginalis | glucosylceramidase, putative | 0.0164 | 0.5264 | 0.5813 |
Toxoplasma gondii | aldehyde dehydrogenase | 0.0059 | 0.0976 | 1 |
Trichomonas vaginalis | glucosylceramidase, putative | 0.0249 | 0.8767 | 1 |
Loa Loa (eye worm) | follicle stimulating hormone receptor | 0.028 | 1 | 1 |
Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0059 | 0.0976 | 0.106 |
Trichomonas vaginalis | glucosylceramidase, putative | 0.0164 | 0.5264 | 0.5813 |
Mycobacterium tuberculosis | Conserved protein | 0.0177 | 0.5816 | 1 |
Trichomonas vaginalis | glucosylceramidase, putative | 0.0164 | 0.5264 | 0.5813 |
Schistosoma mansoni | aldehyde dehydrogenase | 0.0059 | 0.0976 | 0.1678 |
Echinococcus granulosus | Transglutaminase | 0.0177 | 0.5816 | 1 |
Mycobacterium ulcerans | hypothetical protein | 0.0177 | 0.5816 | 1 |
Echinococcus granulosus | aldehyde dehydrogenase mitochondrial | 0.0059 | 0.0976 | 0.1678 |
Mycobacterium tuberculosis | Probable aldehyde dehydrogenase | 0.0059 | 0.0976 | 0.1364 |
Trichomonas vaginalis | glucosylceramidase, putative | 0.0164 | 0.5264 | 0.5813 |
Trichomonas vaginalis | glucosylceramidase, putative | 0.0249 | 0.8767 | 1 |
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-cyp2c19 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-cyp2c9 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-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference | |
AC50 (functional) | = 15.84893192 uM | 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) | = 19.95262315 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 (functional) | = 10 um | PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 10 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 (functional) | = 11.2202 um | PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] | ChEMBL. | No reference |
Potency (ADMET) | = 15.8489 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2D6. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
Potency (ADMET) | = 19.9526 um | PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
Potency (ADMET) | = 19.9526 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) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] | ChEMBL. | No reference |
Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) | 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.