Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 9 | Starlite/ChEMBL | No references |
Rattus norvegicus | Peripheral myelin protein 22 | Starlite/ChEMBL | No references |
Homo sapiens | lamin A/C | 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 | hypothetical protein | Peripheral myelin protein 22 | 160 aa | 129 aa | 25.6 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Echinococcus granulosus | lamin dm0 | 0.0033 | 0.3605 | 1 |
Brugia malayi | Cytochrome P450 family protein | 0.0027 | 0.2482 | 0.6527 |
Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.3478 | 0.9646 |
Echinococcus granulosus | intermediate filament protein | 0.0033 | 0.3605 | 1 |
Echinococcus multilocularis | lamin dm0 | 0.0033 | 0.3605 | 1 |
Echinococcus multilocularis | musashi | 0.0033 | 0.3605 | 1 |
Onchocerca volvulus | 0.0033 | 0.3605 | 0.5 | |
Echinococcus granulosus | lamin | 0.0033 | 0.3605 | 1 |
Onchocerca volvulus | 0.0033 | 0.3605 | 0.5 | |
Loa Loa (eye worm) | hypothetical protein | 0.0033 | 0.3605 | 1 |
Brugia malayi | Intermediate filament tail domain containing protein | 0.0033 | 0.3605 | 1 |
Echinococcus multilocularis | lamin | 0.0033 | 0.3605 | 1 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0027 | 0.2482 | 0.6884 |
Loa Loa (eye worm) | intermediate filament tail domain-containing protein | 0.0033 | 0.3605 | 1 |
Loa Loa (eye worm) | intermediate filament protein | 0.0033 | 0.3605 | 1 |
Loa Loa (eye worm) | cytoplasmic intermediate filament protein | 0.0017 | 0.037 | 0.1026 |
Brugia malayi | intermediate filament protein | 0.0033 | 0.3605 | 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-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-cyp1a2 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-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference | |
Potency (functional) | = 0.7079 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 3.8864 uM | PUBCHEM_BIOASSAY: S16 Schwann cell PMP22 intronic element firefly luciferase assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (ADMET) | = 12.5893 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 (functional) | 20.5962 uM | PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 63.0957 uM | PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 100 uM | PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] | 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.