Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Schistosoma mansoni | alpha-galactosidase/alpha-n-acetylgalactosaminidase | 0.0096 | 0.1751 | 0.1153 |
Mycobacterium tuberculosis | Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) | 0.0025 | 0.0162 | 1 |
Schistosoma mansoni | alpha-galactosidase/alpha-n-acetylgalactosaminidase | 0.0096 | 0.1751 | 0.1153 |
Loa Loa (eye worm) | hypothetical protein | 0.0025 | 0.0162 | 0.014 |
Mycobacterium ulcerans | acyl-CoA synthetase | 0.0025 | 0.0162 | 1 |
Mycobacterium ulcerans | fatty-acid-CoA ligase | 0.0025 | 0.0162 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0096 | 0.1751 | 0.1732 |
Mycobacterium leprae | PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) | 0.0025 | 0.0162 | 0.5 |
Echinococcus granulosus | Alpha N acetylgalactosaminidase | 0.0096 | 0.1751 | 0.1153 |
Plasmodium falciparum | conserved Plasmodium protein, unknown function | 0.0142 | 0.2784 | 1 |
Mycobacterium tuberculosis | Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) | 0.0018 | 0.0023 | 0.139 |
Toxoplasma gondii | melibiase subfamily protein | 0.0096 | 0.1751 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0465 | 1 | 1 |
Entamoeba histolytica | acyl-CoA synthetase, putative | 0.0025 | 0.0162 | 0.5 |
Entamoeba histolytica | acyl-coA synthetase, putative | 0.0025 | 0.0162 | 0.5 |
Leishmania major | 4-coumarate:coa ligase-like protein | 0.0025 | 0.0162 | 0.5 |
Mycobacterium ulcerans | long-chain-fatty-acid--CoA ligase | 0.0025 | 0.0162 | 1 |
Echinococcus multilocularis | beta galactosidase | 0.0465 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0465 | 1 | 1 |
Echinococcus multilocularis | Glycoside hydrolase, family 27 | 0.0096 | 0.1751 | 0.1153 |
Mycobacterium ulcerans | hypothetical protein | 0.0025 | 0.0162 | 1 |
Schistosoma mansoni | alpha-galactosidase/alpha-n-acetylgalactosaminidase | 0.0096 | 0.1751 | 0.1153 |
Brugia malayi | GTP-binding regulatory protein Gs alpha-S chain, putative | 0.0048 | 0.0676 | 0.3234 |
Mycobacterium leprae | PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) | 0.0025 | 0.0162 | 0.5 |
Schistosoma mansoni | beta-galactosidase | 0.0465 | 1 | 1 |
Echinococcus multilocularis | Alpha N acetylgalactosaminidase | 0.0096 | 0.1751 | 0.1153 |
Mycobacterium ulcerans | acyl-CoA synthetase | 0.0025 | 0.0162 | 1 |
Schistosoma mansoni | alpha-galactosidase/alpha-n-acetylgalactosaminidase | 0.0096 | 0.1751 | 0.1153 |
Schistosoma mansoni | alpha-galactosidase/alpha-n-acetylgalactosaminidase | 0.0096 | 0.1751 | 0.1153 |
Trichomonas vaginalis | alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative | 0.0096 | 0.1751 | 0.5 |
Schistosoma mansoni | alpha-galactosidase/alpha-n-acetylgalactosaminidase | 0.0096 | 0.1751 | 0.1153 |
Mycobacterium ulcerans | long-chain fatty-acid CoA ligase | 0.0025 | 0.0162 | 1 |
Entamoeba histolytica | acyl-CoA synthetase, putative | 0.0025 | 0.0162 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0025 | 0.0162 | 0.014 |
Loa Loa (eye worm) | hypothetical protein | 0.0025 | 0.0162 | 0.014 |
Mycobacterium ulcerans | acyl-CoA synthetase | 0.0025 | 0.0162 | 1 |
Mycobacterium ulcerans | long-chain-fatty-acid-CoA ligase | 0.0025 | 0.0162 | 1 |
Leishmania major | 4-coumarate:coa ligase-like protein | 0.0025 | 0.0162 | 0.5 |
Leishmania major | 4-coumarate:coa ligase-like protein | 0.0025 | 0.0162 | 0.5 |
Plasmodium vivax | hypothetical protein, conserved | 0.0142 | 0.2784 | 1 |
Mycobacterium tuberculosis | Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) | 0.0025 | 0.0162 | 1 |
Brugia malayi | Melibiase family protein | 0.0096 | 0.1751 | 1 |
Onchocerca volvulus | 0.0025 | 0.0162 | 0.5 | |
Loa Loa (eye worm) | GTP-binding regulatory protein Gs alpha-S chain | 0.0048 | 0.0676 | 0.0655 |
Chlamydia trachomatis | acylglycerophosphoethanolamine acyltransferase | 0.0018 | 0.0023 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
clogP | = 10.62 | Calculated partition coefficient (clogP) (Cerius 2) | ChEMBL. | No reference |
IC50 (functional) | = 5 uM | Inhibition of gp120 binding to CEM cells in vitro. | ChEMBL. | No reference |
IC50 (binding) | = 25 uM | Inhibition of HIV gp120 binding to CD4 receptor using ELISA assay | 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.