Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Raphanus raphanistrum | Acetolactate synthase | Starlite/ChEMBL | References |
Homo sapiens | nuclear receptor subfamily 3, group C, member 1 (glucocorticoid receptor) | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Candida albicans | putative indole-3-pyruvate decarboxylase | Acetolactate synthase | 604 aa | 529 aa | 22.3 % |
Onchocerca volvulus | UPF0553 protein C9orf64 homolog | Acetolactate synthase | 604 aa | 534 aa | 25.3 % |
Candida albicans | putative indole-3-pyruvate decarboxylase | Acetolactate synthase | 604 aa | 529 aa | 22.3 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Loa Loa (eye worm) | ILVBL protein | 0.008 | 0.311 | 0.311 |
Mycobacterium leprae | Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) | 0.0133 | 0.603 | 1 |
Leishmania major | phosphonopyruvate decarboxylase-like protein | 0.0043 | 0.1021 | 0.3564 |
Trypanosoma cruzi | phosphonopyruvate decarboxylase, putative | 0.0043 | 0.1021 | 1 |
Mycobacterium ulcerans | acetolactate synthase | 0.0076 | 0.2864 | 0.4749 |
Treponema pallidum | aspartyl/glutamyl-tRNA amidotransferase subunit A | 0.0025 | 0 | 0.5 |
Mycobacterium tuberculosis | Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) | 0.0133 | 0.603 | 1 |
Wolbachia endosymbiont of Brugia malayi | aspartyl/glutamyl-tRNA amidotransferase subunit A | 0.0025 | 0 | 0.5 |
Mycobacterium tuberculosis | Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase) | 0.0057 | 0.1794 | 0.2976 |
Mycobacterium ulcerans | hypothetical protein | 0.0133 | 0.603 | 1 |
Schistosoma mansoni | fatty-acid amide hydrolase | 0.0204 | 1 | 1 |
Leishmania major | putative pyruvate/indole-pyruvate carboxylase, putative | 0.0076 | 0.2864 | 1 |
Schistosoma mansoni | acetolactate synthase | 0.0114 | 0.4953 | 0.4953 |
Trypanosoma brucei | phosphonopyruvate decarboxylase-like protein, putative | 0.0043 | 0.1021 | 1 |
Trypanosoma cruzi | phosphonopyruvate decarboxylase, putative | 0.0043 | 0.1021 | 1 |
Schistosoma mansoni | acetolactate synthase | 0.0114 | 0.4953 | 0.4953 |
Mycobacterium ulcerans | acetolactate synthase 1 catalytic subunit | 0.0133 | 0.603 | 1 |
Mycobacterium ulcerans | putative oxalyl-CoA decarboxylase | 0.0133 | 0.603 | 1 |
Mycobacterium tuberculosis | Probable oxalyl-CoA decarboxylase OxcA | 0.0133 | 0.603 | 1 |
Schistosoma mansoni | amidase | 0.0204 | 1 | 1 |
Echinococcus multilocularis | fatty acid amide hydrolase 1 | 0.0204 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0204 | 1 | 1 |
Mycobacterium leprae | PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) | 0.0133 | 0.603 | 1 |
Loa Loa (eye worm) | thiamine pyrophosphate enzyme | 0.0076 | 0.2871 | 0.2871 |
Mycobacterium ulcerans | pyruvate or indole-3-pyruvate decarboxylase Pdc | 0.0076 | 0.2864 | 0.4749 |
Trypanosoma brucei | phosphonopyruvate decarboxylase-like protein, putative | 0.0043 | 0.1021 | 1 |
Chlamydia trachomatis | glutamyl-tRNA(Gln) amidotransferase subunit A | 0.0025 | 0 | 0.5 |
Plasmodium vivax | acyl-CoA synthetase, putative | 0.0076 | 0.2864 | 1 |
Echinococcus granulosus | fatty acid amide hydrolase 1 | 0.0204 | 1 | 1 |
Echinococcus granulosus | fatty acid amide hydrolase 1 | 0.0204 | 1 | 1 |
Mycobacterium ulcerans | hypothetical protein | 0.0043 | 0.1021 | 0.1693 |
Mycobacterium ulcerans | acetolactate synthase large subunit IlvB | 0.0076 | 0.2864 | 0.4749 |
Brugia malayi | Thiamine pyrophosphate enzyme, central domain containing protein | 0.0133 | 0.603 | 0.603 |
Plasmodium falciparum | acyl-CoA synthetase | 0.0076 | 0.2864 | 1 |
Echinococcus multilocularis | fatty acid amide hydrolase 1 | 0.0204 | 1 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 4.776 uM | Inhibition of ALS in ALS-herbicide-susceptible Raphanus raphanistrum WARR33 (wild radish) | ChEMBL. | 22431132 |
IC50 (binding) | = 4.776 uM | Inhibition of ALS in ALS-herbicide-susceptible Raphanus raphanistrum WARR7 (wild radish) | ChEMBL. | 22431132 |
IC50 (binding) | > 100 uM | Inhibition of ALS Ala122Tyr mutant in ALS-herbicide-resistant Raphanus raphanistrum WARR30 (wild radish) expressing ALS Ala122Tyr mutant | ChEMBL. | 22431132 |
Potency (functional) | 0.0355 uM | PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of glucocorticoid receptor signaling. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 35.4813 uM | PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of androgen receptor signaling. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 68.5896 uM | PubChem BioAssay. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 68.5896 uM | PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) | 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.