Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 19 | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 9 | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 1, subfamily A, polypeptide 2 | Starlite/ChEMBL | No references |
Homo sapiens | hypoxia inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor) | 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 % |
Brugia malayi | Cytochrome P450 family protein | cytochrome P450, family 1, subfamily A, polypeptide 2 | 516 aa | 470 aa | 26.2 % |
Mycobacterium tuberculosis | Probable cytochrome P450 136 Cyp136 | cytochrome P450, family 2, subfamily C, polypeptide 9 | 490 aa | 441 aa | 21.8 % |
Leishmania major | cytochrome p450-like protein | cytochrome P450, family 2, subfamily C, polypeptide 19 | 490 aa | 411 aa | 23.1 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Echinococcus multilocularis | mitogen activated protein kinase kinase kinase | 0.04 | 0.9829 | 1 |
Brugia malayi | Protein kinase domain containing protein | 0.04 | 0.9829 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0197 | 0.4467 | 0.4545 |
Loa Loa (eye worm) | TKL/MLK/LZK protein kinase | 0.04 | 0.9829 | 1 |
Trypanosoma brucei | cytochrome P450, putative | 0.0028 | 0 | 0.5 |
Brugia malayi | hypoxia-induced factor 1 | 0.0182 | 0.4064 | 0.4135 |
Brugia malayi | PAS domain containing protein | 0.0059 | 0.0819 | 0.0834 |
Onchocerca volvulus | 0.0043 | 0.0417 | 0.5 | |
Loa Loa (eye worm) | hypoxia-induced factor 1 | 0.0182 | 0.4064 | 0.4135 |
Trypanosoma cruzi | cytochrome P450, putative | 0.0028 | 0 | 0.5 |
Brugia malayi | bHLH-PAS transcription factor | 0.0043 | 0.0417 | 0.0424 |
Brugia malayi | hypothetical protein | 0.0197 | 0.4467 | 0.4545 |
Trypanosoma cruzi | cytochrome P450, putative | 0.0028 | 0 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.04 | 0.9829 | 1 |
Leishmania major | cytochrome p450-like protein | 0.0028 | 0 | 0.5 |
Mycobacterium ulcerans | putative regulatory protein | 0.0043 | 0.0417 | 1 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0063 | 0.0936 | 0.0952 |
Brugia malayi | Cytochrome P450 family protein | 0.0063 | 0.0936 | 0.0952 |
Echinococcus granulosus | mitogen activated protein kinase kinase kinase | 0.04 | 0.9829 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.04 | 0.9829 | 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-cyp2d6 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 |
AC50 (functional) | = 3.981071706 uM | 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) | = 5.011872336 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) | = 6.309573445 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 |
Potency (functional) | = 0.0251 um | PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Agonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 915 ] | ChEMBL. | No reference |
Potency (functional) | = 0.0251 um | PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Antagonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 914 ] | 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 (ADMET) | = 3.9811 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C19. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
Potency (ADMET) | = 6.3096 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 |
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.