Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | stearoyl-CoA desaturase (delta-9-desaturase) | Starlite/ChEMBL | References |
Rattus norvegicus | Acyl-CoA desaturase 1 | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Candida albicans | one of two potential fatty acid desaturase genes similar to S. cerevisiae OLE1 (YGL055W) delta-9 fatty acid desaturase | Acyl-CoA desaturase 1 | 358 aa | 317 aa | 27.1 % |
Candida albicans | one of two potential fatty acid desaturase genes similar to S. cerevisiae OLE1 (YGL055W) delta-9 fatty acid desaturase | Acyl-CoA desaturase 1 | 358 aa | 317 aa | 27.1 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Plasmodium vivax | stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative | 0.0205 | 0 | 0.5 |
Leishmania major | fatty-acid desaturase, putative | 0.0223 | 1 | 0.5 |
Onchocerca volvulus | 0.0223 | 1 | 0.5 | |
Onchocerca volvulus | 0.0223 | 1 | 0.5 | |
Plasmodium falciparum | stearoyl-CoA desaturase | 0.0205 | 0 | 0.5 |
Brugia malayi | acyl-CoA desaturase | 0.0205 | 0 | 0.5 |
Trypanosoma cruzi | fatty acid desaturase, putative | 0.0223 | 1 | 1 |
Loa Loa (eye worm) | acyl-CoA desaturase | 0.0205 | 0 | 0.5 |
Trypanosoma brucei | fatty acid desaturase, putative | 0.0223 | 1 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Activity (functional) | = 1.2 g | Antiobesity activity in diet-induced obese C57BL/6 mouse assessed as change in body weight at 30 mg/kg, po qd for 10 days (Rvb = 2.8 +/- 0.3 g) | ChEMBL. | 24405703 |
IC50 (binding) | = 6 nM | Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis | ChEMBL. | 24405703 |
IC50 (binding) | = 17 nM | Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate | ChEMBL. | 24405703 |
IC50 (binding) | = 21 nM | BindingDB_Patents: Enzymatic Assay. The SCD1 enzymatic assay was done in a volume of 50 µL using 10 µg of RLM (prepared as described above) in a 96-well polypropylene plate (enzyme reaction buffer contains 0.1 M K-Phosphate Buffer, 10 mM ATP, 6 mM MgCl2. 1 mM CoA, 1 mM ß-NADH, 1.6 mM L-glutathione, 20 µM Stearoyl-CoA). Stearoyl-[9,10-3H]-CoA (ARC-0390, 1 mCi/mL, 60 Ci/mmol,) was added at a final concentration of 2 µCi/mL. Test compound was then added to the reaction mixture at the selected concentration. After incubation at room temperature for 2 hours, 5 µL 1 N HCl was added to stop the reaction, followed by addition of 25 µL of 10% charcoal. The reaction mixture was then transferred to 96-well Multiscreen plate (Millipore, Cat#MSFCN6B50). [3H2O] was collected into Opti-plate (PE, Cat#6005290) by centrifuge, at 1,000 rpm for 2 minutes. 150 µL Microscint 40 (PE, cat #6013641) was then added to each well and counted on Topcount for [3H] counts per minute (cpm). | ChEMBL. | No reference |
IC50 (binding) | = 21 nM | BindingDB_Patents: Enzymatic Assay. The SCD1 enzymatic assay was done in a volume of 50 µL using 10 µg of RLM (prepared as described above) in a 96-well polypropylene plate (enzyme reaction buffer contains 0.1 M K-Phosphate Buffer, 10 mM ATP, 6 mM MgCl2. 1 mM CoA, 1 mM ß-NADH, 1.6 mM L-glutathione, 20 µM Stearoyl-CoA). Stearoyl-[9,10-3H]-CoA (ARC-0390, 1 mCi/mL, 60 Ci/mmol,) was added at a final concentration of 2 µCi/mL. Test compound was then added to the reaction mixture at the selected concentration. After incubation at room temperature for 2 hours, 5 µL 1 N HCl was added to stop the reaction, followed by addition of 25 µL of 10% charcoal. The reaction mixture was then transferred to 96-well Multiscreen plate (Millipore, Cat#MSFCN6B50). [3H2O] was collected into Opti-plate (PE, Cat#6005290) by centrifuge, at 1,000 rpm for 2 minutes. 150 µL Microscint 40 (PE, cat #6013641) was then added to each well and counted on Topcount for [3H] counts per minute (cpm). | 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.
1 literature reference was collected for this gene.