Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | aldehyde dehydrogenase 1 family, member A1 | Starlite/ChEMBL | No references |
Mycobacterium tuberculosis | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA | Starlite/ChEMBL | No references |
Escherichia coli | penicillin-binding protein | 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 leprae | Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA | 437 aa | 397 aa | 28.5 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Trypanosoma brucei | hypothetical protein, conserved | 0.0043 | 0 | 0.5 |
Trichomonas vaginalis | acetylornithine aminotransferase, putative | 0.0184 | 0.5979 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0043 | 0 | 0.5 |
Mycobacterium tuberculosis | Probable aldehyde dehydrogenase | 0.0073 | 0.1274 | 0.1274 |
Loa Loa (eye worm) | hypothetical protein | 0.0043 | 0 | 0.5 |
Mycobacterium ulcerans | adenosylmethionine-8-amino-7-oxononanoate aminotransferase | 0.0184 | 0.5979 | 1 |
Echinococcus granulosus | aldehyde dehydrogenase mitochondrial | 0.0073 | 0.1274 | 1 |
Brugia malayi | beta-lactamase family protein | 0.0043 | 0 | 0.5 |
Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 0.1274 | 0.213 |
Trypanosoma cruzi | hypothetical protein, conserved | 0.0043 | 0 | 0.5 |
Onchocerca volvulus | 0.0043 | 0 | 0.5 | |
Trypanosoma cruzi | hypothetical protein, conserved | 0.0043 | 0 | 0.5 |
Schistosoma mansoni | aldehyde dehydrogenase | 0.0073 | 0.1274 | 1 |
Mycobacterium ulcerans | hypothetical protein | 0.0184 | 0.5979 | 1 |
Leishmania major | aldehyde dehydrogenase, mitochondrial precursor | 0.0073 | 0.1274 | 1 |
Toxoplasma gondii | aldehyde dehydrogenase | 0.0073 | 0.1274 | 1 |
Plasmodium vivax | hypothetical protein, conserved | 0.0043 | 0 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0043 | 0 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0043 | 0 | 0.5 |
Schistosoma mansoni | aldehyde dehydrogenase | 0.0073 | 0.1274 | 1 |
Brugia malayi | Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative | 0.0043 | 0 | 0.5 |
Brugia malayi | beta-lactamase | 0.0043 | 0 | 0.5 |
Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 0.1274 | 0.213 |
Mycobacterium leprae | PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA | 0.0184 | 0.5979 | 1 |
Loa Loa (eye worm) | beta-lactamase | 0.0043 | 0 | 0.5 |
Onchocerca volvulus | 0.0043 | 0 | 0.5 | |
Brugia malayi | beta-lactamase family protein | 0.0043 | 0 | 0.5 |
Mycobacterium tuberculosis | Probable aminotransferase | 0.0184 | 0.5979 | 0.5979 |
Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 0.1274 | 0.213 |
Loa Loa (eye worm) | hypothetical protein | 0.0043 | 0 | 0.5 |
Echinococcus multilocularis | aldehyde dehydrogenase, mitochondrial | 0.0073 | 0.1274 | 1 |
Loa Loa (eye worm) | beta-LACTamase domain containing family member | 0.0043 | 0 | 0.5 |
Onchocerca volvulus | 0.0043 | 0 | 0.5 | |
Mycobacterium tuberculosis | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA | 0.0184 | 0.5979 | 0.5979 |
Loa Loa (eye worm) | hypothetical protein | 0.0043 | 0 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
AC50 (functional) | 0.311 uM | PubChem BioAssay. Mycobacterium tuberculosis BioA enzyme inhibitor Measured in Biochemical System Using Plate Reader - 2163-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 3.9811 um | PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] | ChEMBL. | No reference |
Potency (functional) | = 12.5893 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 |
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.