Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Influenza A virus | Nonstructural protein 1 | Starlite/ChEMBL | No references |
Homo sapiens | bromodomain adjacent to zinc finger domain, 2B | Starlite/ChEMBL | No references |
Homo sapiens | aldehyde dehydrogenase 1 family, member A1 | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Mycobacterium tuberculosis | Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 | aldehyde dehydrogenase 1 family, member A1 | 501 aa | 456 aa | 33.3 % |
Mycobacterium tuberculosis | Hypothetical protein | Nonstructural protein 1 | 230 aa | 202 aa | 23.8 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Echinococcus multilocularis | bromodomain adjacent to zinc finger domain | 0.0043 | 0.2951 | 0.3975 |
Loa Loa (eye worm) | hypothetical protein | 0.0046 | 0.3391 | 0.3541 |
Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 0.7424 | 0.5 |
Brugia malayi | Bromodomain containing protein | 0.0046 | 0.3378 | 0.2673 |
Echinococcus granulosus | bromodomain adjacent to zinc finger domain | 0.0043 | 0.2951 | 0.3975 |
Echinococcus granulosus | fetal alzheimer antigen falz | 0.0027 | 0.0535 | 0.0721 |
Schistosoma mansoni | bromodomain containing protein | 0.0076 | 0.7886 | 1 |
Schistosoma mansoni | acetyl-CoA C-acetyltransferase | 0.0027 | 0.0535 | 0.0679 |
Echinococcus multilocularis | aldehyde dehydrogenase, mitochondrial | 0.0073 | 0.7424 | 1 |
Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 0.7424 | 0.5 |
Echinococcus granulosus | aldehyde dehydrogenase mitochondrial | 0.0073 | 0.7424 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0052 | 0.4163 | 0.4395 |
Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 0.7424 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0085 | 0.9228 | 1 |
Schistosoma mansoni | aldehyde dehydrogenase | 0.0073 | 0.7424 | 0.9414 |
Schistosoma mansoni | aldehyde dehydrogenase | 0.0073 | 0.7424 | 0.9414 |
Echinococcus multilocularis | bromodomain adjacent to zinc finger domain | 0.0072 | 0.724 | 0.9752 |
Schistosoma mansoni | hypothetical protein | 0.0025 | 0.0191 | 0.0242 |
Echinococcus granulosus | bromodomain adjacent to zinc finger domain | 0.0072 | 0.724 | 0.9752 |
Loa Loa (eye worm) | hypothetical protein | 0.0049 | 0.3818 | 0.4014 |
Toxoplasma gondii | aldehyde dehydrogenase | 0.0073 | 0.7424 | 0.5 |
Echinococcus multilocularis | fetal alzheimer antigen, falz | 0.0027 | 0.0535 | 0.0721 |
Leishmania major | aldehyde dehydrogenase, mitochondrial precursor | 0.0073 | 0.7424 | 0.5 |
Mycobacterium tuberculosis | Probable aldehyde dehydrogenase | 0.0073 | 0.7424 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Potency (functional) | 1.2589 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] | ChEMBL. | No reference |
Potency (functional) | = 3.9811 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 7.0795 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) | 23.9341 uM | PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] | ChEMBL. | No reference |
Potency (functional) | 25.1189 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] | 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.