Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Mus musculus | RAR-related orphan receptor gamma | Starlite/ChEMBL | No references |
Plasmodium berghei | glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase, putative | Starlite/ChEMBL | No references |
Homo sapiens | geminin, DNA replication inhibitor | Starlite/ChEMBL | No references |
Giardia intestinalis | Putative fructose-1,6-bisphosphate aldolase | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Mycobacterium leprae | Probable fructose bisphosphate aldolase Fba | Putative fructose-1,6-bisphosphate aldolase | 323 aa | 361 aa | 25.8 % |
Candida albicans | fructose-bisphosphate aldolase | Putative fructose-1,6-bisphosphate aldolase | 323 aa | 358 aa | 22.6 % |
Candida albicans | fructose-bisphosphate aldolase | Putative fructose-1,6-bisphosphate aldolase | 323 aa | 358 aa | 22.6 % |
Mycobacterium ulcerans | fructose-bisphosphate aldolase | Putative fructose-1,6-bisphosphate aldolase | 323 aa | 361 aa | 26.9 % |
Mycobacterium tuberculosis | Probable fructose-bisphosphate aldolase Fba | Putative fructose-1,6-bisphosphate aldolase | 323 aa | 361 aa | 25.5 % |
Brugia malayi | Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X | geminin, DNA replication inhibitor | 209 aa | 176 aa | 27.8 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0353 | 1 | 1 |
Mycobacterium leprae | Probable fructose bisphosphate aldolase Fba | 0.0172 | 0.428 | 0.5 |
Schistosoma mansoni | hypothetical protein | 0.0205 | 0.5301 | 1 |
Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0353 | 1 | 1 |
Mycobacterium ulcerans | fructose-bisphosphate aldolase | 0.0172 | 0.428 | 1 |
Trypanosoma cruzi | glucose-6-phosphate 1-dehydrogenase, putative | 0.0113 | 0.2386 | 1 |
Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0353 | 1 | 1 |
Echinococcus multilocularis | geminin | 0.0205 | 0.5301 | 1 |
Entamoeba histolytica | fructose-1,6-bisphosphate aldolase, putative | 0.0353 | 1 | 0.5 |
Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0353 | 1 | 1 |
Treponema pallidum | fructose-bisphosphate aldolase | 0.0353 | 1 | 1 |
Plasmodium falciparum | glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | 0.0123 | 0.2703 | 1 |
Chlamydia trachomatis | glucose-6-phosphate 1-dehydrogenase | 0.0113 | 0.2386 | 0.5 |
Giardia lamblia | Fructose-bisphosphate aldolase | 0.0353 | 1 | 1 |
Leishmania major | glucose-6-phosphate 1-dehydrogenase, putative | 0.0113 | 0.2386 | 0.5 |
Brugia malayi | glucose-6-phosphate dehydrogenase | 0.0113 | 0.2386 | 0.5 |
Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0353 | 1 | 1 |
Schistosoma mansoni | hypothetical protein | 0.0205 | 0.5301 | 1 |
Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0353 | 1 | 1 |
Loa Loa (eye worm) | glucose-6-phosphate dehydrogenase | 0.0113 | 0.2386 | 0.5 |
Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0353 | 1 | 1 |
Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0353 | 1 | 1 |
Mycobacterium ulcerans | glucose-6-phosphate 1-dehydrogenase | 0.0113 | 0.2386 | 0.3951 |
Toxoplasma gondii | glucose-6-phosphate 1-dehydrogenase | 0.0123 | 0.2703 | 1 |
Plasmodium vivax | glucose-6-phosphate 1-dehydrogenase, putative | 0.0123 | 0.2703 | 0.5 |
Echinococcus granulosus | geminin | 0.0205 | 0.5301 | 1 |
Mycobacterium tuberculosis | Probable fructose-bisphosphate aldolase Fba | 0.0172 | 0.428 | 1 |
Trypanosoma brucei | glucose-6-phosphate 1-dehydrogenase | 0.0113 | 0.2386 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (functional) | = 2.86 uM | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors of Plasmodium falciparum Glucose-6-phosphate dehydrogenase via a fluorescence intensity assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504690, AID504696] | ChEMBL. | No reference |
IC50 (functional) | = 36 uM | PUBCHEM_BIOASSAY: Human Glucose-6-Phosphate Dehydrogenase Dose Response Selectivity Assay for Inhibitors of Plasmodium falciparum Glucose-6-Phosphate Dehydrogenase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504690, AID504696] | ChEMBL. | No reference |
IC50 (functional) | = 52.3 uM | PUBCHEM_BIOASSAY: Dose Response orthogonal kinetic assay utilizing the direct detection of NADPH for uHTS small molecule inhibitors of Plasmodium falciparum Glucose-6-phosphate dehydrogenase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504690, AID504696] | ChEMBL. | No reference |
IC50 (functional) | > 80 uM | PUBCHEM_BIOASSAY: Dose Response orthogonal assay utilizing the direct end-point detection of NADPH for uHTS small molecule inhibitors of Plasmodium falciparum Glucose-6-phosphate dehydrogenase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504690, AID504696] | ChEMBL. | No reference |
Potency (functional) | 0.1158 uM | PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 14.1254 um | PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 17.7407 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] | ChEMBL. | No reference |
Potency (functional) | = 22.3872 um | PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 39.8107 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) | 50.1187 uM | PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 100 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 |
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.