Assay Detail
Binding
CHEMBL5737407
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Enzymatic Assay1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller et al., 1968). The assay was conducted in buffer containing 50 mM Tris, 0.1% Triton X-100, 150 mM potassium chloride, 2 nM DHODH, 1 mM dihydroorotate, 0.1 mM decylubiquinone, 0.06 mM DCIP, and 2% DMSO at pH 8.0 at 32 degree celsius. The reaction was initiated by addition of substrates. Enzyme activity was monitored kinetically by the reduction in DCIP absorbance at 600 nm. Purified recombinant human DHODH enzyme was purchased from Novus (cat. no. NBP1-98916). Other chemicals were purchased from Sigma-Aldrich. Absorbance measurements were obtained using a BMG clarion star plate-reading spectrophotometer.
594
Total Activities
197
Compounds Tested
3
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial (CHEMBL1966) ↗| Type | SINGLE PROTEIN |
| Organism | Homo sapiens |
Publication
2,4,5-trisubstituted 1,2,4-triazolones useful as inhibitors of DHODH
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 198 | 7.17 | 9.00 |
| kon | 198 | - | - |
| k_off | 198 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5821197 | — | — | 3 | 9.00 |
| CHEMBL6028821 | — | — | 3 | 8.82 |
| CHEMBL6038987 | — | — | 3 | 8.82 |
| CHEMBL5791277 | — | — | 3 | 8.70 |
| CHEMBL5899579 | — | — | 3 | 8.60 |
| CHEMBL5936462 | — | — | 3 | 8.55 |
| CHEMBL5871984 | — | — | 3 | 8.52 |
| CHEMBL6040154 | — | — | 3 | 8.52 |
| CHEMBL5880222 | — | — | 3 | 8.49 |
| CHEMBL5945038 | — | — | 3 | 8.46 |
| CHEMBL5961417 | — | — | 3 | 8.41 |
| CHEMBL5077508 | — | — | 3 | 8.38 |
| CHEMBL5855110 | — | — | 3 | 8.37 |
| CHEMBL5843585 | — | — | 3 | 8.36 |
| CHEMBL5818468 | — | — | 3 | 8.35 |
| CHEMBL5881375 | — | — | 3 | 8.35 |
| CHEMBL6002096 | — | — | 3 | 8.35 |
| CHEMBL5894597 | — | — | 3 | 8.35 |
| CHEMBL5943676 | — | — | 3 | 8.30 |
| CHEMBL5926927 | — | — | 3 | 8.30 |
| CHEMBL5837610 | — | — | 3 | 8.30 |
| CHEMBL6011939 | — | — | 3 | 8.28 |
| CHEMBL5793295 | — | — | 3 | 8.28 |
| CHEMBL6049641 | — | — | 3 | 8.27 |
| CHEMBL5979720 | — | — | 3 | 8.26 |
| CHEMBL5837805 | — | — | 3 | 8.22 |
| CHEMBL6034461 | — | — | 3 | 8.22 |
| CHEMBL5765546 | — | — | 3 | 8.22 |
| CHEMBL5852942 | — | — | 3 | 8.22 |
| CHEMBL5834648 | — | — | 3 | 8.21 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5821197 | — | IC50 | = | 1.0 | nM | 9.00 |
| CHEMBL6038987 | — | IC50 | = | 1.5 | nM | 8.82 |
| CHEMBL6028821 | — | IC50 | = | 1.5 | nM | 8.82 |
| CHEMBL5791277 | — | IC50 | = | 2.0 | nM | 8.70 |
| CHEMBL5899579 | — | IC50 | = | 2.5 | nM | 8.60 |
| CHEMBL5936462 | — | IC50 | = | 2.8 | nM | 8.55 |
| CHEMBL6040154 | — | IC50 | = | 3.0 | nM | 8.52 |
| CHEMBL5871984 | — | IC50 | = | 3.0 | nM | 8.52 |
| CHEMBL5880222 | — | IC50 | = | 3.2 | nM | 8.49 |
| CHEMBL5945038 | — | IC50 | = | 3.5 | nM | 8.46 |
| CHEMBL5961417 | — | IC50 | = | 3.9 | nM | 8.41 |
| CHEMBL5077508 | — | IC50 | = | 4.17 | nM | 8.38 |
| CHEMBL5855110 | — | IC50 | = | 4.3 | nM | 8.37 |
| CHEMBL5843585 | — | IC50 | = | 4.33 | nM | 8.36 |
| CHEMBL5881375 | — | IC50 | = | 4.5 | nM | 8.35 |
| CHEMBL5894597 | — | IC50 | = | 4.5 | nM | 8.35 |
| CHEMBL5818468 | — | IC50 | = | 4.5 | nM | 8.35 |
| CHEMBL6002096 | — | IC50 | = | 4.5 | nM | 8.35 |
| CHEMBL5943676 | — | IC50 | = | 5.0 | nM | 8.30 |
| CHEMBL5926927 | — | IC50 | = | 5.0 | nM | 8.30 |
| CHEMBL5837610 | — | IC50 | = | 5.0 | nM | 8.30 |
| CHEMBL5793295 | — | IC50 | = | 5.2 | nM | 8.28 |
| CHEMBL6011939 | — | IC50 | = | 5.2 | nM | 8.28 |
| CHEMBL6049641 | — | IC50 | = | 5.33 | nM | 8.27 |
| CHEMBL5979720 | — | IC50 | = | 5.5 | nM | 8.26 |
| CHEMBL6034461 | — | IC50 | = | 6.05 | nM | 8.22 |
| CHEMBL5765546 | — | IC50 | = | 6.0 | nM | 8.22 |
| CHEMBL5837805 | — | IC50 | = | 6.0 | nM | 8.22 |
| CHEMBL5852942 | — | IC50 | = | 6.0 | nM | 8.22 |
| CHEMBL5834648 | — | IC50 | = | 6.17 | nM | 8.21 |
| CHEMBL6061058 | — | IC50 | = | 6.5 | nM | 8.19 |
| CHEMBL6054301 | — | IC50 | = | 7.0 | nM | 8.15 |
| CHEMBL5763638 | — | IC50 | = | 7.0 | nM | 8.15 |
| CHEMBL5900984 | — | IC50 | = | 7.0 | nM | 8.15 |
| CHEMBL5836077 | — | IC50 | = | 7.5 | nM | 8.12 |
| CHEMBL5984826 | — | IC50 | = | 7.5 | nM | 8.12 |
| CHEMBL5773494 | — | IC50 | = | 7.5 | nM | 8.12 |
| CHEMBL5939753 | — | IC50 | = | 7.75 | nM | 8.11 |
| CHEMBL5748647 | — | IC50 | = | 8.5 | nM | 8.07 |
| CHEMBL5910212 | — | IC50 | = | 9.0 | nM | 8.05 |
| CHEMBL5776168 | — | IC50 | = | 9.75 | nM | 8.01 |
| CHEMBL5842821 | — | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL5961667 | — | IC50 | = | 11.0 | nM | 7.96 |
| CHEMBL5918684 | — | IC50 | = | 12.5 | nM | 7.90 |
| CHEMBL5941952 | — | IC50 | = | 13.0 | nM | 7.89 |
| CHEMBL5973336 | — | IC50 | = | 13.0 | nM | 7.89 |
| CHEMBL5969863 | — | IC50 | = | 13.0 | nM | 7.89 |
| CHEMBL5817808 | — | IC50 | = | 13.0 | nM | 7.89 |
| CHEMBL5800827 | — | IC50 | = | 13.1 | nM | 7.88 |
| CHEMBL5771873 | — | IC50 | = | 14.0 | nM | 7.85 |