Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | cytochrome P450, family 2, subfamily D, polypeptide 6 | Starlite/ChEMBL | No references |
Homo sapiens | lysine (K)-specific demethylase 4E | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Brugia malayi | cytochrome P450 | cytochrome P450, family 2, subfamily D, polypeptide 6 | 497 aa | 425 aa | 32.0 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Schistosoma mansoni | hydroxymethylglutaryl-CoA reductase (NADPH) | 0.268 | 1 | 1 |
Echinococcus granulosus | hydroxymethylglutaryl coenzyme A reductase | 0.268 | 1 | 1 |
Mycobacterium ulcerans | hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase | 0.268 | 1 | 0.5 |
Trypanosoma cruzi | 3-hydroxy-3-methylglutaryl-CoA reductase | 0.268 | 1 | 0.5 |
Leishmania major | 3-hydroxy-3-methylglutaryl-CoA reductase | 0.268 | 1 | 0.5 |
Trypanosoma cruzi | 3-hydroxy-3-methylglutaryl-CoA reductase, putative | 0.268 | 1 | 0.5 |
Schistosoma mansoni | niemann-pick C1 (NPC1) | 0.1104 | 0.3715 | 0.3715 |
Echinococcus multilocularis | hydroxymethylglutaryl coenzyme A reductase | 0.268 | 1 | 1 |
Echinococcus multilocularis | Glutamate receptor, ionotropic kainate 2 | 0.0194 | 0.0092 | 0.0092 |
Trichomonas vaginalis | 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative | 0.1257 | 0.4329 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.268 | 1 | 1 |
Echinococcus multilocularis | glutamate (NMDA) receptor subunit | 0.0371 | 0.0797 | 0.0797 |
Trichomonas vaginalis | 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative | 0.1257 | 0.4329 | 1 |
Schistosoma mansoni | glutamate receptor NMDA | 0.0371 | 0.0797 | 0.0797 |
Echinococcus granulosus | Protein patched homolog 1 | 0.1104 | 0.3715 | 0.3657 |
Trichomonas vaginalis | 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative | 0.1257 | 0.4329 | 1 |
Echinococcus multilocularis | glutamate receptor, ionotrophic, AMPA 3 | 0.0194 | 0.0092 | 0.0092 |
Echinococcus multilocularis | protein patched | 0.1104 | 0.3715 | 0.3715 |
Echinococcus granulosus | glutamate NMDA receptor subunit | 0.0371 | 0.0797 | 0.0712 |
Echinococcus multilocularis | Glutamate receptor, ionotropic kainate 2 | 0.0194 | 0.0092 | 0.0092 |
Loa Loa (eye worm) | hypothetical protein | 0.1104 | 0.3715 | 0.3715 |
Trypanosoma brucei | 3-hydroxy-3-methylglutaryl-CoA reductase, putative | 0.268 | 1 | 0.5 |
Brugia malayi | CHE-14 protein | 0.1104 | 0.3715 | 0.3715 |
Echinococcus multilocularis | protein dispatched 1 | 0.1104 | 0.3715 | 0.3715 |
Echinococcus granulosus | sterol regulatory element binding protein | 0.1104 | 0.3715 | 0.3657 |
Echinococcus multilocularis | Niemann Pick C1 protein | 0.1104 | 0.3715 | 0.3715 |
Loa Loa (eye worm) | abnormal chemotaxis protein 14 | 0.1104 | 0.3715 | 0.3715 |
Echinococcus multilocularis | sterol regulatory element binding protein | 0.1104 | 0.3715 | 0.3715 |
Echinococcus multilocularis | glutamate receptor 2 | 0.0194 | 0.0092 | 0.0092 |
Schistosoma mansoni | glutamate receptor NMDA | 0.029 | 0.0471 | 0.0471 |
Schistosoma mansoni | patched 1 | 0.1104 | 0.3715 | 0.3715 |
Echinococcus granulosus | Niemann Pick C1 protein | 0.1104 | 0.3715 | 0.3657 |
Echinococcus multilocularis | Glutamate receptor, ionotropic kainate 2 | 0.0194 | 0.0092 | 0.0092 |
Giardia lamblia | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 0.1257 | 0.4329 | 0.5 |
Echinococcus granulosus | nmda type glutamate receptor | 0.0216 | 0.0177 | 0.0087 |
Echinococcus multilocularis | nmda type glutamate receptor | 0.0216 | 0.0177 | 0.0177 |
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-cyp3a4 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) | 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) | = 3.16227766 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) | = 25.11886432 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 |
IC50 (binding) | = 0.035 uM | Inhibition of [3H]-CPP binding to rat N-methyl-D-aspartic acid receptor 2A | ChEMBL. | 16107147 |
IC50 (binding) | = 0.22 uM | Inhibition of [3H]-Glu binding to rat N-methyl-D-aspartic acid receptor 2A | ChEMBL. | 16107147 |
Potency (ADMET) | = 3.1623 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 (functional) | = 19.9526 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 35.4813 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (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.
1 literature reference was collected for this gene.