Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Escherichia coli | penicillin-binding protein | Starlite/ChEMBL | No references |
Giardia intestinalis | Putative fructose-1,6-bisphosphate aldolase | Starlite/ChEMBL | No references |
Plasmodium berghei | glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase, putative | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Mycobacterium tuberculosis | Probable fructose-bisphosphate aldolase Fba | Putative fructose-1,6-bisphosphate aldolase | 323 aa | 361 aa | 25.5 % |
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 leprae | Probable fructose bisphosphate aldolase Fba | Putative fructose-1,6-bisphosphate aldolase | 323 aa | 361 aa | 25.8 % |
Mycobacterium ulcerans | fructose-bisphosphate aldolase | Putative fructose-1,6-bisphosphate aldolase | 323 aa | 361 aa | 26.9 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0353 | 1 | 1 |
Mycobacterium ulcerans | glucose-6-phosphate 1-dehydrogenase | 0.0074 | 0.0972 | 0.2332 |
Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0353 | 1 | 1 |
Giardia lamblia | Fructose-bisphosphate aldolase | 0.0353 | 1 | 1 |
Trypanosoma cruzi | glucose-6-phosphate 1-dehydrogenase, putative | 0.0113 | 0.2234 | 1 |
Mycobacterium tuberculosis | Possible penicillin-binding protein | 0.0278 | 0.7571 | 1 |
Mycobacterium tuberculosis | Probable fructose-bisphosphate aldolase Fba | 0.0172 | 0.4166 | 0.5503 |
Loa Loa (eye worm) | glucose-6-phosphate dehydrogenase | 0.0113 | 0.2234 | 1 |
Trichomonas vaginalis | glucosamine-6-phosphate isomerase, putative | 0.0123 | 0.2558 | 0.2558 |
Toxoplasma gondii | glucose-6-phosphate 1-dehydrogenase | 0.0074 | 0.0972 | 0.3798 |
Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0353 | 1 | 1 |
Entamoeba histolytica | fructose-1,6-bisphosphate aldolase, putative | 0.0353 | 1 | 0.5 |
Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0353 | 1 | 1 |
Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0353 | 1 | 1 |
Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0353 | 1 | 1 |
Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0353 | 1 | 1 |
Toxoplasma gondii | glucose-6-phosphate 1-dehydrogenase | 0.0123 | 0.2558 | 1 |
Treponema pallidum | fructose-bisphosphate aldolase | 0.0353 | 1 | 1 |
Echinococcus multilocularis | glucose 6 phosphate 1 dehydrogenase | 0.0113 | 0.2234 | 1 |
Echinococcus granulosus | glucose 6 phosphate 1 dehydrogenase | 0.0113 | 0.2234 | 1 |
Schistosoma mansoni | glucose-6-phosphate 1-dehydrogenase | 0.0113 | 0.2234 | 1 |
Onchocerca volvulus | 0.0043 | 0 | 0.5 | |
Mycobacterium ulcerans | glucose-6-phosphate 1-dehydrogenase | 0.0113 | 0.2234 | 0.5362 |
Mycobacterium leprae | Probable fructose bisphosphate aldolase Fba | 0.0172 | 0.4166 | 1 |
Plasmodium vivax | glucose-6-phosphate 1-dehydrogenase, putative | 0.0123 | 0.2558 | 1 |
Chlamydia trachomatis | glucose-6-phosphate 1-dehydrogenase | 0.0113 | 0.2234 | 0.5 |
Onchocerca volvulus | 0.0043 | 0 | 0.5 | |
Mycobacterium ulcerans | fructose-bisphosphate aldolase | 0.0172 | 0.4166 | 1 |
Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0353 | 1 | 1 |
Leishmania major | glucose-6-phosphate 1-dehydrogenase, putative | 0.0113 | 0.2234 | 1 |
Trichomonas vaginalis | glucosamine-6-phosphate isomerase, putative | 0.0123 | 0.2558 | 0.2558 |
Brugia malayi | glucose-6-phosphate dehydrogenase | 0.0113 | 0.2234 | 1 |
Trichomonas vaginalis | 6-phosphogluconolactonase, putative | 0.0123 | 0.2558 | 0.2558 |
Onchocerca volvulus | 0.0043 | 0 | 0.5 | |
Trypanosoma brucei | glucose-6-phosphate 1-dehydrogenase | 0.0113 | 0.2234 | 1 |
Plasmodium falciparum | glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | 0.0123 | 0.2558 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (functional) | = 6.41 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) | > 80 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) | > 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 |
IC50 (functional) | > 80 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 |
Potency (functional) | = 0.5623 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) | 13.1154 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
Potency (functional) | = 19.9054 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 (binding) | 31.6228 uM | PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (binding) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] | ChEMBL. | No reference |
Potency (functional) | 89.1251 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | ChEMBL. | No reference |
Species name | Source | Reference | Is orphan |
---|---|---|---|
Plasmodium falciparum | ChEMBL23 |
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.