Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | lysine (K)-specific methyltransferase 2A | Starlite/ChEMBL | No references |
Homo sapiens | multiple endocrine neoplasia I | No references | |
Influenza A virus | Nonstructural protein 1 | 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 | Hypothetical protein | Nonstructural protein 1 | 230 aa | 202 aa | 23.8 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Echinococcus granulosus | histone lysine N methyltransferase MLL3 | 0.0011 | 0.0014 | 0.0044 |
Mycobacterium tuberculosis | Possible penicillin-binding protein | 0.0278 | 0.068 | 0.0713 |
Schistosoma mansoni | family S12 unassigned peptidase (S12 family) | 0.0043 | 0.0096 | 0.0787 |
Loa Loa (eye worm) | beta-LACTamase domain containing family member | 0.0043 | 0.0096 | 1 |
Echinococcus granulosus | cpg binding protein | 0.0037 | 0.0079 | 0.0578 |
Schistosoma mansoni | mixed-lineage leukemia protein mll | 0.0009 | 0.0009 | 0.0074 |
Trichomonas vaginalis | esterase, putative | 0.0043 | 0.0096 | 1 |
Trichomonas vaginalis | D-aminoacylase, putative | 0.0043 | 0.0096 | 1 |
Mycobacterium tuberculosis | Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras | 0.3329 | 0.8285 | 1 |
Echinococcus multilocularis | cpg binding protein | 0.0037 | 0.0079 | 0.0578 |
Brugia malayi | Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative | 0.0043 | 0.0096 | 1 |
Brugia malayi | CXXC zinc finger family protein | 0.0035 | 0.0074 | 0.7325 |
Onchocerca volvulus | 0.0043 | 0.0096 | 1 | |
Echinococcus multilocularis | histone lysine N methyltransferase MLL3 | 0.0011 | 0.0014 | 0.0044 |
Onchocerca volvulus | 0.0043 | 0.0096 | 1 | |
Trypanosoma cruzi | hypothetical protein, conserved | 0.0043 | 0.0096 | 0.5 |
Trichomonas vaginalis | D-aminoacylase, putative | 0.0043 | 0.0096 | 1 |
Echinococcus granulosus | beta LACTamase domain containing family member | 0.0043 | 0.0096 | 0.0718 |
Schistosoma mansoni | cpg binding protein | 0.0037 | 0.0079 | 0.0648 |
Echinococcus granulosus | dnaJ subfamily B | 0.0494 | 0.1219 | 1 |
Echinococcus multilocularis | dnaJ subfamily B | 0.0494 | 0.1219 | 1 |
Schistosoma mansoni | mixed-lineage leukemia protein mll | 0.0074 | 0.0171 | 0.1403 |
Schistosoma mansoni | hypothetical protein | 0.0494 | 0.1219 | 1 |
Loa Loa (eye worm) | beta-lactamase | 0.0043 | 0.0096 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0043 | 0.0096 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0043 | 0.0096 | 1 |
Trichomonas vaginalis | penicillin-binding protein, putative | 0.0043 | 0.0096 | 1 |
Loa Loa (eye worm) | CXXC zinc finger family protein | 0.0035 | 0.0074 | 0.7314 |
Brugia malayi | beta-lactamase | 0.0043 | 0.0096 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0043 | 0.0096 | 1 |
Toxoplasma gondii | histone lysine methyltransferase SET1 | 0.0066 | 0.0151 | 0.0056 |
Trichomonas vaginalis | penicillin-binding protein, putative | 0.0043 | 0.0096 | 1 |
Brugia malayi | beta-lactamase family protein | 0.0043 | 0.0096 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0043 | 0.0096 | 1 |
Leishmania major | hypothetical protein, conserved | 0.0043 | 0.0096 | 0.5 |
Onchocerca volvulus | 0.0043 | 0.0096 | 1 | |
Trichomonas vaginalis | D-aminoacylase, putative | 0.0043 | 0.0096 | 1 |
Schistosoma mansoni | family S12 unassigned peptidase (S12 family) | 0.0043 | 0.0096 | 0.0787 |
Trypanosoma brucei | hypothetical protein, conserved | 0.0043 | 0.0096 | 0.5 |
Schistosoma mansoni | cpg binding protein | 0.0037 | 0.0079 | 0.0648 |
Echinococcus multilocularis | beta LACTamase domain containing family member | 0.0043 | 0.0096 | 0.0718 |
Brugia malayi | beta-lactamase family protein | 0.0043 | 0.0096 | 1 |
Schistosoma mansoni | cpg binding protein | 0.0035 | 0.0074 | 0.0608 |
Loa Loa (eye worm) | hypothetical protein | 0.0043 | 0.0096 | 1 |
Trypanosoma cruzi | hypothetical protein, conserved | 0.0043 | 0.0096 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0043 | 0.0096 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
AC50 (binding) | = 28.757 uM | PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787] | ChEMBL. | No reference |
Potency (functional) | = 1.7783 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) | 4.1475 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) | = 17.7828 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 19.9526 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) | 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.