Assay Detail
Binding
CHEMBL5737990
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Fluorescence Intensity Assay (500 NAD): Compounds are dispensed onto assay plates (black, low volume, flat bottom 384 well, Corning) using an Access Labcyte Workstation with the Labcyte Echo 55× from a DMSO solution. For the chosen highest assay concentration of 100 μM, 150 nl of compound solution are transferred from a 10 mM DMSO compound stock solution. A series of 11 concentrations (10 1:5 steps) is transferred for each compound.DMSO is added such that every well has a total of 150 nl compound solution.The assay has been performed at two different NAD/3-PG ratios (final assay concentrations):3-PGPHGDH_500_NAD/3-PG: 500 μM NAD/500 μM 3-PG5 μl of PHGDH protein (final assay concentration 100 ng/ml) in assay buffer (125 mM Tris-HCl, pH 7.5; 56.25 mM Hydrazine sulfate pH 9.0; 2.5 mM EDTA; assay specific NAD concentration; 0.0125% Tween20) are added to the 150 nl of compounds.10 μl of a mix containing assay specific 3-PG concentration, Resazurin (25 μM final assay concentration) and Diaphorase (35 μg/ml final assay concentration) are added. Plates are kept at room temperature. After 240 minutes incubation time the fluorescence signal is measured in a PerkinElmer Envision HTS Multilabel Reader with an excitation wavelength at 530-560 nm and an emission wavelength at 590 nm.
171
Total Activities
57
Compounds Tested
3
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 8 — Homologous single protein target |
| Curated By | Autocuration |
Target
D-3-phosphoglycerate dehydrogenase (CHEMBL2311243) ↗| Type | SINGLE PROTEIN |
| Organism | Homo sapiens |
Publication
Tosylacetate based compounds and derivatives thereof as PHGDH inhibitors
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 57 | 7.07 | 8.40 |
| kon | 57 | - | - |
| k_off | 57 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4515492 | — | — | 3 | 8.40 |
| CHEMBL4520837 | — | — | 3 | 8.40 |
| CHEMBL4527607 | — | — | 3 | 8.30 |
| CHEMBL4542437 | — | — | 3 | 8.22 |
| CHEMBL4548014 | — | — | 3 | 8.15 |
| CHEMBL4483622 | — | — | 3 | 8.15 |
| CHEMBL4536020 | — | — | 3 | 8.10 |
| CHEMBL4587306 | — | — | 3 | 8.05 |
| CHEMBL4560976 | — | — | 3 | 8.05 |
| CHEMBL4436264 | — | — | 3 | 8.05 |
| CHEMBL4536556 | — | — | 3 | 8.00 |
| CHEMBL4585012 | — | — | 3 | 7.96 |
| CHEMBL4513843 | — | — | 3 | 7.85 |
| CHEMBL4592933 | — | — | 3 | 7.82 |
| CHEMBL4547034 | — | — | 3 | 7.80 |
| CHEMBL4517873 | — | — | 3 | 7.77 |
| CHEMBL4547905 | — | — | 3 | 7.75 |
| CHEMBL4582792 | — | — | 3 | 7.70 |
| CHEMBL4591375 | — | — | 3 | 7.68 |
| CHEMBL4572184 | — | — | 3 | 7.66 |
| CHEMBL4587964 | — | — | 3 | 7.55 |
| CHEMBL4551822 | — | — | 3 | 7.54 |
| CHEMBL4577108 | — | — | 3 | 7.50 |
| CHEMBL4521930 | — | — | 3 | 7.06 |
| CHEMBL4568292 | — | — | 3 | 7.02 |
| CHEMBL4516261 | — | — | 3 | 7.02 |
| CHEMBL4564291 | — | — | 3 | 6.97 |
| CHEMBL4575857 | — | — | 3 | 6.92 |
| CHEMBL4537896 | — | — | 3 | 6.92 |
| CHEMBL4483039 | — | — | 3 | 6.86 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4515492 | — | IC50 | = | 4.0 | nM | 8.40 |
| CHEMBL4520837 | — | IC50 | = | 4.0 | nM | 8.40 |
| CHEMBL4527607 | — | IC50 | = | 5.0 | nM | 8.30 |
| CHEMBL4542437 | — | IC50 | = | 6.0 | nM | 8.22 |
| CHEMBL4548014 | — | IC50 | = | 7.0 | nM | 8.15 |
| CHEMBL4483622 | — | IC50 | = | 7.0 | nM | 8.15 |
| CHEMBL4536020 | — | IC50 | = | 8.0 | nM | 8.10 |
| CHEMBL4560976 | — | IC50 | = | 9.0 | nM | 8.05 |
| CHEMBL4587306 | — | IC50 | = | 9.0 | nM | 8.05 |
| CHEMBL4436264 | — | IC50 | = | 9.0 | nM | 8.05 |
| CHEMBL4536556 | — | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL4585012 | — | IC50 | = | 11.0 | nM | 7.96 |
| CHEMBL4513843 | — | IC50 | = | 14.0 | nM | 7.85 |
| CHEMBL4592933 | — | IC50 | = | 15.0 | nM | 7.82 |
| CHEMBL4547034 | — | IC50 | = | 16.0 | nM | 7.80 |
| CHEMBL4517873 | — | IC50 | = | 17.0 | nM | 7.77 |
| CHEMBL4547905 | — | IC50 | = | 18.0 | nM | 7.75 |
| CHEMBL4582792 | — | IC50 | = | 20.0 | nM | 7.70 |
| CHEMBL4591375 | — | IC50 | = | 21.0 | nM | 7.68 |
| CHEMBL4572184 | — | IC50 | = | 22.0 | nM | 7.66 |
| CHEMBL4587964 | — | IC50 | = | 28.0 | nM | 7.55 |
| CHEMBL4551822 | — | IC50 | = | 29.0 | nM | 7.54 |
| CHEMBL4577108 | — | IC50 | = | 32.0 | nM | 7.50 |
| CHEMBL4521930 | — | IC50 | = | 87.0 | nM | 7.06 |
| CHEMBL4516261 | — | IC50 | = | 95.0 | nM | 7.02 |
| CHEMBL4568292 | — | IC50 | = | 95.0 | nM | 7.02 |
| CHEMBL4564291 | — | IC50 | = | 107.0 | nM | 6.97 |
| CHEMBL4575857 | — | IC50 | = | 119.0 | nM | 6.92 |
| CHEMBL4537896 | — | IC50 | = | 119.0 | nM | 6.92 |
| CHEMBL4483039 | — | IC50 | = | 137.0 | nM | 6.86 |
| CHEMBL4549808 | — | IC50 | = | 146.0 | nM | 6.84 |
| CHEMBL4592921 | — | IC50 | = | 156.0 | nM | 6.81 |
| CHEMBL4566179 | — | IC50 | = | 168.0 | nM | 6.78 |
| CHEMBL4520575 | — | IC50 | = | 190.0 | nM | 6.72 |
| CHEMBL4555768 | — | IC50 | = | 191.0 | nM | 6.72 |
| CHEMBL4536159 | — | IC50 | = | 196.0 | nM | 6.71 |
| CHEMBL4571344 | — | IC50 | = | 211.0 | nM | 6.68 |
| CHEMBL4558818 | — | IC50 | = | 246.0 | nM | 6.61 |
| CHEMBL4587097 | — | IC50 | = | 255.0 | nM | 6.59 |
| CHEMBL4518579 | — | IC50 | = | 258.0 | nM | 6.59 |
| CHEMBL4556952 | — | IC50 | = | 291.0 | nM | 6.54 |
| CHEMBL4521064 | — | IC50 | = | 292.0 | nM | 6.54 |
| CHEMBL4572088 | — | IC50 | = | 305.0 | nM | 6.52 |
| CHEMBL4552569 | — | IC50 | = | 299.0 | nM | 6.52 |
| CHEMBL4515646 | — | IC50 | = | 419.0 | nM | 6.38 |
| CHEMBL4591884 | — | IC50 | = | 436.0 | nM | 6.36 |
| CHEMBL4560176 | — | IC50 | = | 509.0 | nM | 6.29 |
| CHEMBL4522256 | — | IC50 | = | 525.0 | nM | 6.28 |
| CHEMBL4567743 | — | IC50 | = | 578.0 | nM | 6.24 |
| CHEMBL4532917 | — | IC50 | = | 690.0 | nM | 6.16 |