Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | Rho-associated, coiled-coil containing protein kinase 2 | Starlite/ChEMBL | No references |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Mycobacterium tuberculosis | Probable isocitrate lyase AceAb [second part] (isocitrase) (isocitratase) (Icl) | 0.0981 | 1 | 1 |
Mycobacterium tuberculosis | NAD(P)H quinone reductase LpdA | 0.0139 | 0.0911 | 0.0911 |
Mycobacterium tuberculosis | Probable reductase | 0.0125 | 0.076 | 0.076 |
Schistosoma mansoni | serine/threonine protein kinase | 0.0176 | 0.1305 | 1 |
Echinococcus granulosus | rho-associated protein kinase 1 | 0.0176 | 0.1305 | 1 |
Mycobacterium tuberculosis | Probable membrane NADH dehydrogenase NdhA | 0.0125 | 0.076 | 0.076 |
Echinococcus granulosus | Transcription factor JmjC domain containing protein | 0.0068 | 0.0145 | 0.1109 |
Loa Loa (eye worm) | jmjC domain-containing protein | 0.0068 | 0.0145 | 0.0273 |
Mycobacterium ulcerans | isocitrate lyase AceAb | 0.0981 | 1 | 0.5 |
Mycobacterium tuberculosis | Probable oxidoreductase | 0.0139 | 0.0911 | 0.0911 |
Mycobacterium tuberculosis | Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras | 0.0139 | 0.0911 | 0.0911 |
Echinococcus granulosus | lysine specific demethylase 5A | 0.0068 | 0.0145 | 0.1109 |
Mycobacterium tuberculosis | Probable NADH dehydrogenase Ndh | 0.0125 | 0.076 | 0.076 |
Mycobacterium tuberculosis | Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB | 0.0125 | 0.076 | 0.076 |
Brugia malayi | jmjC domain containing protein | 0.0068 | 0.0145 | 0.0273 |
Trypanosoma brucei | trypanothione reductase | 0.0055 | 0 | 0.5 |
Plasmodium falciparum | glutathione reductase | 0.0055 | 0 | 0.5 |
Plasmodium vivax | glutathione reductase, putative | 0.0055 | 0 | 0.5 |
Echinococcus multilocularis | Transcription factor, JmjC domain containing protein | 0.0068 | 0.0145 | 0.1109 |
Mycobacterium tuberculosis | Probable dehydrogenase | 0.0125 | 0.076 | 0.076 |
Mycobacterium leprae | Isocitrate lyase | 0.046 | 0.4372 | 0.3909 |
Onchocerca volvulus | 0.0176 | 0.1305 | 1 | |
Leishmania major | trypanothione reductase | 0.0055 | 0 | 0.5 |
Mycobacterium leprae | DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE | 0.0139 | 0.0911 | 0.0163 |
Mycobacterium tuberculosis | Probable isocitrate lyase AceAa [first part] (isocitrase) (isocitratase) (Icl) | 0.0981 | 1 | 1 |
Plasmodium falciparum | thioredoxin reductase | 0.0055 | 0 | 0.5 |
Mycobacterium ulcerans | isocitrate lyase Icl | 0.0981 | 1 | 0.5 |
Trypanosoma cruzi | trypanothione reductase, putative | 0.0055 | 0 | 0.5 |
Loa Loa (eye worm) | AGC/DMPK/ROCK protein kinase | 0.0546 | 0.5304 | 1 |
Echinococcus multilocularis | lysine specific demethylase 5A | 0.0068 | 0.0145 | 0.1109 |
Echinococcus multilocularis | rho associated protein kinase | 0.0176 | 0.1305 | 1 |
Mycobacterium tuberculosis | Putative ferredoxin reductase | 0.0125 | 0.076 | 0.076 |
Plasmodium vivax | thioredoxin reductase, putative | 0.0055 | 0 | 0.5 |
Toxoplasma gondii | thioredoxin reductase | 0.0055 | 0 | 0.5 |
Brugia malayi | Protein kinase domain containing protein | 0.0546 | 0.5304 | 1 |
Brugia malayi | jmjC domain containing protein | 0.0068 | 0.0145 | 0.0273 |
Mycobacterium tuberculosis | Isocitrate lyase Icl (isocitrase) (isocitratase) | 0.0981 | 1 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 3.8 nM | BindingDB_Patents: IMAP Assay. This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices (Sunnyvale, CA) in IMAP kinase reaction buffer (Tris-HCl, pH 7.2, 10 mM MgC12 , 0.05% NaN3, 0.1% phosphate-free BSA) containing 1 mM DTT. Test compounds dissolved in neat DMSO at 0.3 mg/mL are serially diluted 1 to 3 for concentration response in 100% DMSO. The DMSO serial dilutions are further diluted 33.33-fold in kinase reaction buffer, and 10 μL of this buffer dilution is transferred to Corning black 96-well half area NBS plates for a final top concentration of 3 ug/mL in 1% DMSO. 10 aliquot of 3 nM ROCKII (1-543) diluted in kinase reaction buffer is added to each assay well for a final concentration of 1 nM kinase. 10 uL of a mixture of 600 nM FAM S6 peptide and 300 uM ATP diluted in kinase reaction buffer is added to each well for a final concentration of 200 nM peptide and 100 uM ATP. | 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.