Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | peroxisome proliferator-activated receptor gamma | Starlite/ChEMBL | References |
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 9 | Starlite/ChEMBL | References |
Homo sapiens | potassium voltage-gated channel, subfamily H (eag-related), member 2 | Starlite/ChEMBL | References |
Homo sapiens | peroxisome proliferator-activated receptor alpha | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Mycobacterium tuberculosis | Probable cytochrome P450 136 Cyp136 | cytochrome P450, family 2, subfamily C, polypeptide 9 | 490 aa | 441 aa | 21.8 % |
Echinococcus granulosus | ecdysone induced protein 78C | peroxisome proliferator-activated receptor gamma | 477 aa | 447 aa | 28.2 % |
Brugia malayi | ecdysteroid receptor | peroxisome proliferator-activated receptor alpha | 468 aa | 397 aa | 25.4 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Loa Loa (eye worm) | thiamine pyrophosphate enzyme | 0.0131 | 0.2537 | 0.9335 |
Brugia malayi | Nuclear hormone receptor family member nhr-3 | 0.0037 | 0.0239 | 0.0486 |
Loa Loa (eye worm) | hypothetical protein | 0.0039 | 0.0279 | 0.1026 |
Loa Loa (eye worm) | nuclear Hormone Receptor family member | 0.0037 | 0.0239 | 0.088 |
Entamoeba histolytica | pyruvate:ferredoxin oxidoreductase | 0.0033 | 0.0143 | 0.5 |
Trichomonas vaginalis | voltage and ligand gated potassium channel, putative | 0.0042 | 0.0351 | 1 |
Plasmodium falciparum | acyl-CoA synthetase | 0.013 | 0.2531 | 0.5 |
Schistosoma mansoni | voltage-gated potassium channel | 0.0049 | 0.0524 | 0.0292 |
Brugia malayi | Nuclear hormone receptor family member nhr-25 | 0.0037 | 0.0239 | 0.0486 |
Brugia malayi | Nuclear hormone receptor family member nhr-19 | 0.0037 | 0.0239 | 0.0486 |
Brugia malayi | Nuclear hormone receptor family member nhr-31 | 0.0037 | 0.0239 | 0.0486 |
Treponema pallidum | pyruvate oxidoreductase | 0.0033 | 0.0143 | 0.5 |
Loa Loa (eye worm) | voltage and ligand gated potassium channel | 0.0045 | 0.0423 | 0.1558 |
Loa Loa (eye worm) | nuclear hormone receptor family member nhr-14 | 0.0037 | 0.0239 | 0.088 |
Mycobacterium ulcerans | putative oxalyl-CoA decarboxylase | 0.0228 | 0.4926 | 1 |
Brugia malayi | nuclear hormone receptor | 0.0037 | 0.0239 | 0.0486 |
Mycobacterium ulcerans | hypothetical protein | 0.0074 | 0.1138 | 0.208 |
Echinococcus granulosus | potassium voltage gated channel subfamily H | 0.0045 | 0.0423 | 1 |
Onchocerca volvulus | Steroid hormone receptor family member cnr14 homolog | 0.0037 | 0.0239 | 0.5 |
Trypanosoma brucei | phosphonopyruvate decarboxylase-like protein, putative | 0.0074 | 0.1138 | 0.5 |
Loa Loa (eye worm) | steroid hormone receptor | 0.0037 | 0.0239 | 0.088 |
Brugia malayi | Nuclear hormone receptor family member nhr-14 | 0.0037 | 0.0239 | 0.0486 |
Loa Loa (eye worm) | nuclear hormone receptor family member nhr-41 | 0.0037 | 0.0239 | 0.088 |
Brugia malayi | Nuclear hormone receptor-like 1 | 0.0037 | 0.0239 | 0.0486 |
Loa Loa (eye worm) | hypothetical protein | 0.0037 | 0.0239 | 0.088 |
Mycobacterium tuberculosis | Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase) | 0.0097 | 0.1723 | 0.3304 |
Loa Loa (eye worm) | ILVBL protein | 0.0138 | 0.2718 | 1 |
Onchocerca volvulus | 0.0037 | 0.0239 | 0.5 | |
Trypanosoma cruzi | phosphonopyruvate decarboxylase, putative | 0.0074 | 0.1138 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0037 | 0.0239 | 0.088 |
Loa Loa (eye worm) | hypothetical protein | 0.0037 | 0.0239 | 0.088 |
Mycobacterium ulcerans | acetolactate synthase | 0.013 | 0.2531 | 0.4994 |
Brugia malayi | nuclear receptor NHR-88 | 0.0037 | 0.0239 | 0.0486 |
Loa Loa (eye worm) | hypothetical protein | 0.0037 | 0.0239 | 0.088 |
Brugia malayi | steroid hormone receptor | 0.0037 | 0.0239 | 0.0486 |
Brugia malayi | Ligand-binding domain of nuclear hormone receptor family protein | 0.0037 | 0.0239 | 0.0486 |
Brugia malayi | Thiamine pyrophosphate enzyme, central domain containing protein | 0.0228 | 0.4926 | 1 |
Mycobacterium ulcerans | 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase | 0.004 | 0.0323 | 0.0378 |
Brugia malayi | Nuclear hormone receptor family member nhr-25 | 0.0037 | 0.0239 | 0.0486 |
Brugia malayi | Steroid receptor seven-up type 2 | 0.0037 | 0.0239 | 0.0486 |
Loa Loa (eye worm) | hypothetical protein | 0.0037 | 0.0239 | 0.088 |
Schistosoma mansoni | voltage-gated potassium channel | 0.0049 | 0.0524 | 0.0292 |
Mycobacterium ulcerans | acetolactate synthase 1 catalytic subunit | 0.0228 | 0.4926 | 1 |
Brugia malayi | ecdysteroid receptor | 0.0037 | 0.0239 | 0.0486 |
Leishmania major | putative pyruvate/indole-pyruvate carboxylase, putative | 0.013 | 0.2531 | 1 |
Brugia malayi | Ligand-binding domain of nuclear hormone receptor family protein | 0.0037 | 0.0239 | 0.0486 |
Echinococcus multilocularis | potassium voltage gated channel subfamily H | 0.0045 | 0.0423 | 1 |
Schistosoma mansoni | acetolactate synthase | 0.0195 | 0.4111 | 0.3967 |
Mycobacterium ulcerans | pyruvate or indole-3-pyruvate decarboxylase Pdc | 0.013 | 0.2531 | 0.4994 |
Loa Loa (eye worm) | nuclear hormone receptor family member nhr-1 | 0.0037 | 0.0239 | 0.088 |
Brugia malayi | Nuclear hormone receptor family member nhr-40 | 0.0037 | 0.0239 | 0.0486 |
Trypanosoma brucei | phosphonopyruvate decarboxylase-like protein, putative | 0.0074 | 0.1138 | 0.5 |
Loa Loa (eye worm) | nuclear hormone receptor family member nhr-40 | 0.0037 | 0.0239 | 0.088 |
Trichomonas vaginalis | voltage and ligand gated potassium channel, putative | 0.0042 | 0.0351 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0037 | 0.0239 | 0.088 |
Brugia malayi | photoreceptor-specific nuclear receptor | 0.0037 | 0.0239 | 0.0486 |
Onchocerca volvulus | Protein ultraspiracle homolog | 0.0037 | 0.0239 | 0.5 |
Giardia lamblia | Pyruvate-flavodoxin oxidoreductase | 0.0033 | 0.0143 | 0.5 |
Mycobacterium tuberculosis | Probable oxalyl-CoA decarboxylase OxcA | 0.0228 | 0.4926 | 1 |
Loa Loa (eye worm) | nuclear hormone receptor family member nhr-49 | 0.0037 | 0.0239 | 0.088 |
Trypanosoma cruzi | phosphonopyruvate decarboxylase, putative | 0.0074 | 0.1138 | 0.5 |
Onchocerca volvulus | Bile acid receptor homolog | 0.0037 | 0.0239 | 0.5 |
Mycobacterium leprae | PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) | 0.0228 | 0.4926 | 1 |
Loa Loa (eye worm) | nuclear hormone receptor family member nhr-31 | 0.0037 | 0.0239 | 0.088 |
Brugia malayi | Nuclear hormone receptor family member nhr-1 | 0.0037 | 0.0239 | 0.0486 |
Loa Loa (eye worm) | hypothetical protein | 0.0037 | 0.0239 | 0.088 |
Loa Loa (eye worm) | hypothetical protein | 0.0037 | 0.0239 | 0.088 |
Mycobacterium ulcerans | acetolactate synthase large subunit IlvB | 0.013 | 0.2531 | 0.4994 |
Schistosoma mansoni | acetolactate synthase | 0.0195 | 0.4111 | 0.3967 |
Brugia malayi | Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog | 0.0045 | 0.0423 | 0.086 |
Plasmodium vivax | acyl-CoA synthetase, putative | 0.013 | 0.2531 | 0.5 |
Brugia malayi | Nuclear hormone receptor family member nhr-41 | 0.0037 | 0.0239 | 0.0486 |
Mycobacterium ulcerans | hypothetical protein | 0.0228 | 0.4926 | 1 |
Brugia malayi | Nuclear hormone receptor family member nhr-19 | 0.0037 | 0.0239 | 0.0486 |
Mycobacterium leprae | Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) | 0.0228 | 0.4926 | 1 |
Mycobacterium tuberculosis | Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) | 0.0228 | 0.4926 | 1 |
Brugia malayi | Nuclear hormone receptor family member nhr-49 | 0.0037 | 0.0239 | 0.0486 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
EC50 (functional) | = 0.004 uM | Agonist activity at PPARgamma (unknown origin) in HEK293 cells by GAL4 transactivation assay | ChEMBL. | 18291645 |
EC50 (functional) | = 0.004 uM | Agonist activity at PPARgamma (unknown origin) in HEK293 cells by GAL4 transactivation assay | ChEMBL. | 18291645 |
EC50 (functional) | = 0.01 uM | Agonist activity at PPARalpha (unknown origin) in HEK293 cells by GAL4 transactivation assay | ChEMBL. | 18291645 |
EC50 (functional) | = 0.01 uM | Agonist activity at PPARalpha (unknown origin) in HEK293 cells by GAL4 transactivation assay | ChEMBL. | 18291645 |
IC50 (ADMET) | Inhibition of CYP2C19 (unknown origin) | ChEMBL. | 18291645 | |
IC50 (ADMET) | 0 | Inhibition of CYP2C19 (unknown origin) | ChEMBL. | 18291645 |
IC50 (binding) | = 0.11 uM | Inhibition of PPARgamma (unknown origin) | ChEMBL. | 18291645 |
IC50 (binding) | = 0.11 uM | Inhibition of PPARgamma (unknown origin) | ChEMBL. | 18291645 |
IC50 (binding) | = 0.79 uM | Inhibition of PPARalpha (unknown origin) | ChEMBL. | 18291645 |
IC50 (binding) | = 0.79 uM | Inhibition of PPARalpha (unknown origin) | ChEMBL. | 18291645 |
IC50 (ADMET) | = 2.3 uM | Inhibition of CYP2C9 (unknown origin) | ChEMBL. | 18291645 |
IC50 (ADMET) | = 2.3 uM | Inhibition of CYP2C9 (unknown origin) | ChEMBL. | 18291645 |
IC50 (binding) | = 18.1 uM | Inhibition of human ERG by FLIPR assay | ChEMBL. | 18291645 |
IC50 (binding) | = 18.1 uM | Inhibition of human ERG by FLIPR assay | ChEMBL. | 18291645 |
IC50 (ADMET) | = 28 uM | Inhibition of CYP3A4 (unknown origin) in presence of 7-benzyloxyresorufin substrate | ChEMBL. | 18291645 |
IC50 (ADMET) | = 28 uM | Inhibition of CYP3A4 (unknown origin) in presence of 7-benzyloxyresorufin substrate | ChEMBL. | 18291645 |
IC50 (ADMET) | > 40 uM | Inhibition of CYP3A4 (unknown origin) in presence of 7-benzyloxy-4-trifluoromethyl coumarin substrate | ChEMBL. | 18291645 |
IC50 (ADMET) | > 40 uM | Inhibition of CYP3A4 (unknown origin) in presence of 7-benzyloxy-4-trifluoromethyl coumarin substrate | ChEMBL. | 18291645 |
Intrinsic activity (functional) | > 90 % | Agonist activity at PPARalpha (unknown origin) in HEK293 cells at 1 uM by GAL4 transactivation assay relative to GW2331 | ChEMBL. | 18291645 |
Intrinsic activity (functional) | > 90 % | Agonist activity at PPARgamma (unknown origin) in HEK293 cells at 1 uM by GAL4 transactivation assay relative to rosiglitazone | ChEMBL. | 18291645 |
Intrinsic activity (functional) | > 90 % | Agonist activity at PPARalpha (unknown origin) in HEK293 cells at 1 uM by GAL4 transactivation assay relative to GW2331 | ChEMBL. | 18291645 |
Intrinsic activity (functional) | > 90 % | Agonist activity at PPARgamma (unknown origin) in HEK293 cells at 1 uM by GAL4 transactivation assay relative to rosiglitazone | ChEMBL. | 18291645 |
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.
1 literature reference was collected for this gene.