Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Bacillus anthracis | Anthrax lethal factor | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | 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 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Loa Loa (eye worm) | hypothetical protein | 0.0073 | 0.217 | 0.4828 |
Mycobacterium leprae | probable zinc metalloprotease | 0.0099 | 0.3355 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0073 | 0.217 | 0.4828 |
Loa Loa (eye worm) | aspartic protease BmAsp-2 | 0.0083 | 0.2609 | 0.6743 |
Loa Loa (eye worm) | hypothetical protein | 0.0073 | 0.217 | 0.4828 |
Loa Loa (eye worm) | hypothetical protein | 0.0075 | 0.2249 | 0.5172 |
Echinococcus granulosus | endothelin converting enzyme 1 | 0.0099 | 0.3355 | 1 |
Schistosoma mansoni | subfamily A1A unassigned peptidase (A01 family) | 0.0083 | 0.2609 | 0.2609 |
Loa Loa (eye worm) | hypothetical protein | 0.0075 | 0.2249 | 0.5172 |
Mycobacterium tuberculosis | Probable zinc metalloprotease Zmp1 | 0.0099 | 0.3355 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0075 | 0.2249 | 0.5172 |
Trichomonas vaginalis | Clan AA, family A1, cathepsin D-like aspartic peptidase | 0.0083 | 0.2609 | 0.5 |
Plasmodium falciparum | plasmepsin I | 0.0083 | 0.2609 | 0.5 |
Schistosoma mansoni | family M13 non-peptidase homologue (M13 family) | 0.005 | 0.1106 | 0.1106 |
Loa Loa (eye worm) | peptidase family M13 containing protein | 0.0073 | 0.217 | 0.4828 |
Loa Loa (eye worm) | hypothetical protein | 0.0073 | 0.217 | 0.4828 |
Schistosoma mansoni | family M13 unassigned peptidase (M13 family) | 0.005 | 0.1106 | 0.1106 |
Schistosoma mansoni | cathepsin D (A01 family) | 0.0243 | 1 | 1 |
Echinococcus multilocularis | endothelin converting enzyme 1 | 0.0099 | 0.3355 | 1 |
Schistosoma mansoni | neprilysin-2 (M13 family) | 0.005 | 0.1106 | 0.1106 |
Loa Loa (eye worm) | peptidase family M13 containing protein | 0.0073 | 0.217 | 0.4828 |
Loa Loa (eye worm) | hypothetical protein | 0.0075 | 0.2249 | 0.5172 |
Plasmodium vivax | aspartyl proteinase, putative | 0.0083 | 0.2609 | 0.5 |
Plasmodium falciparum | plasmepsin IV | 0.0083 | 0.2609 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0075 | 0.2249 | 0.5172 |
Loa Loa (eye worm) | hypothetical protein | 0.0099 | 0.3355 | 1 |
Schistosoma mansoni | Nep2 peptidase (M13 family) | 0.005 | 0.1106 | 0.1106 |
Toxoplasma gondii | peptidase family M13 protein | 0.0099 | 0.3355 | 1 |
Plasmodium vivax | plasmepsin IV, putative | 0.0083 | 0.2609 | 0.5 |
Schistosoma mansoni | family M13 unassigned peptidase (M13 family) | 0.005 | 0.1106 | 0.1106 |
Plasmodium falciparum | plasmepsin VI | 0.0083 | 0.2609 | 0.5 |
Brugia malayi | Peptidase family M13 containing protein | 0.0099 | 0.3355 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0099 | 0.3355 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0083 | 0.2609 | 0.6743 |
Plasmodium falciparum | plasmepsin II | 0.0083 | 0.2609 | 0.5 |
Onchocerca volvulus | 0.0049 | 0.1064 | 0.5 | |
Loa Loa (eye worm) | hypothetical protein | 0.0075 | 0.2249 | 0.5172 |
Loa Loa (eye worm) | hypothetical protein | 0.0099 | 0.3355 | 1 |
Brugia malayi | Hypothetical zinc metalloproteinase T16A9.4 | 0.0099 | 0.3355 | 0.5 |
Schistosoma mansoni | family M13 unassigned peptidase (M13 family) | 0.0099 | 0.3355 | 0.3355 |
Mycobacterium ulcerans | zinc metalloprotease | 0.0099 | 0.3355 | 0.5 |
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-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-cyp3a4 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-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-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference |
Potency (ADMET) | = 15.8489 um | PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
Potency (ADMET) | = 15.8489 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) | = 19.9526 um | PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (ADMET) | = 25.1189 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) | = 25.1189 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) | = 28.1838 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) | 79.4328 uM | PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] | 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.