Assay Detail
Binding
CHEMBL2434280
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Inhibition of Plasmodium falciparum DHODH (Phe158 to Ser569) expressed in Escherichia coli BL21 using dihydroorotate as substrate measured every 30 secs for 6 mins by DCIP dye-based assay
47
Total Activities
47
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Plasmodium falciparum |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Target
Dihydroorotate dehydrogenase (CHEMBL3486) ↗| Type | SINGLE PROTEIN |
| Organism | Plasmodium falciparum |
Publication
Novel selective and potent inhibitors of malaria parasite dihydroorotate dehydrogenase: discovery and optimization of dihydrothiophenone derivatives.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 47 | 6.15 | 8.22 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL2431496 | — | — | 1 | 8.22 |
| CHEMBL2431499 | — | — | 1 | 7.75 |
| CHEMBL2431515 | — | — | 1 | 7.70 |
| CHEMBL475813 | — | — | 1 | 7.51 |
| CHEMBL2431488 | — | — | 1 | 7.48 |
| CHEMBL2431500 | — | — | 1 | 7.19 |
| CHEMBL2431498 | — | — | 1 | 7.10 |
| CHEMBL2431513 | — | — | 1 | 7.04 |
| CHEMBL2431502 | — | — | 1 | 6.85 |
| CHEMBL2431501 | — | — | 1 | 6.78 |
| CHEMBL2431517 | — | — | 1 | 6.71 |
| CHEMBL2431505 | — | — | 1 | 6.64 |
| CHEMBL2431510 | — | — | 1 | 6.59 |
| CHEMBL2431514 | — | — | 1 | 6.46 |
| CHEMBL2431503 | — | — | 1 | 6.43 |
| CHEMBL2431518 | — | — | 1 | 6.41 |
| CHEMBL2431511 | — | — | 1 | 6.27 |
| CHEMBL2431504 | — | — | 1 | 6.25 |
| CHEMBL2431497 | — | — | 1 | 6.16 |
| CHEMBL2431506 | — | — | 1 | 6.12 |
| CHEMBL2431516 | — | — | 1 | 6.07 |
| CHEMBL2431489 | — | — | 1 | 6.02 |
| CHEMBL1732938 | — | — | 1 | 5.95 |
| CHEMBL2431509 | — | — | 1 | 5.92 |
| CHEMBL2431521 | — | — | 1 | 5.91 |
| CHEMBL2431522 | — | — | 1 | 5.83 |
| CHEMBL2431507 | — | — | 1 | 5.79 |
| CHEMBL2431480 | — | — | 1 | 5.63 |
| CHEMBL2431487 | — | — | 1 | 5.44 |
| CHEMBL2431523 | — | — | 1 | 5.39 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL2431496 | — | IC50 | = | 6.0 | nM | 8.22 |
| CHEMBL2431499 | — | IC50 | = | 18.0 | nM | 7.75 |
| CHEMBL2431515 | — | IC50 | = | 20.0 | nM | 7.70 |
| CHEMBL475813 | — | IC50 | = | 31.0 | nM | 7.51 |
| CHEMBL2431488 | — | IC50 | = | 33.0 | nM | 7.48 |
| CHEMBL2431500 | — | IC50 | = | 65.0 | nM | 7.19 |
| CHEMBL2431498 | — | IC50 | = | 79.0 | nM | 7.10 |
| CHEMBL2431513 | — | IC50 | = | 92.0 | nM | 7.04 |
| CHEMBL2431502 | — | IC50 | = | 142.0 | nM | 6.85 |
| CHEMBL2431501 | — | IC50 | = | 168.0 | nM | 6.78 |
| CHEMBL2431517 | — | IC50 | = | 197.0 | nM | 6.71 |
| CHEMBL2431505 | — | IC50 | = | 227.0 | nM | 6.64 |
| CHEMBL2431510 | — | IC50 | = | 256.0 | nM | 6.59 |
| CHEMBL2431514 | — | IC50 | = | 351.0 | nM | 6.46 |
| CHEMBL2431503 | — | IC50 | = | 367.0 | nM | 6.43 |
| CHEMBL2431518 | — | IC50 | = | 392.0 | nM | 6.41 |
| CHEMBL2431511 | — | IC50 | = | 536.0 | nM | 6.27 |
| CHEMBL2431504 | — | IC50 | = | 559.0 | nM | 6.25 |
| CHEMBL2431497 | — | IC50 | = | 698.0 | nM | 6.16 |
| CHEMBL2431506 | — | IC50 | = | 751.0 | nM | 6.12 |
| CHEMBL2431516 | — | IC50 | = | 851.0 | nM | 6.07 |
| CHEMBL2431489 | — | IC50 | = | 951.0 | nM | 6.02 |
| CHEMBL1732938 | — | IC50 | = | 1113.0 | nM | 5.95 |
| CHEMBL2431509 | — | IC50 | = | 1188.0 | nM | 5.92 |
| CHEMBL2431521 | — | IC50 | = | 1238.0 | nM | 5.91 |
| CHEMBL2431522 | — | IC50 | = | 1486.0 | nM | 5.83 |
| CHEMBL2431507 | — | IC50 | = | 1615.0 | nM | 5.79 |
| CHEMBL2431480 | — | IC50 | = | 2350.0 | nM | 5.63 |
| CHEMBL2431487 | — | IC50 | = | 3662.0 | nM | 5.44 |
| CHEMBL2431523 | — | IC50 | = | 4032.0 | nM | 5.39 |
| CHEMBL2431481 | — | IC50 | = | 4159.0 | nM | 5.38 |
| CHEMBL2431484 | — | IC50 | = | 4633.0 | nM | 5.33 |
| CHEMBL2431485 | — | IC50 | = | 5733.0 | nM | 5.24 |
| CHEMBL2431519 | — | IC50 | = | 11441.0 | nM | 4.94 |
| CHEMBL2431491 | — | IC50 | = | 12061.0 | nM | 4.92 |
| CHEMBL2431494 | — | IC50 | = | 13210.0 | nM | 4.88 |
| CHEMBL2431486 | — | IC50 | = | 19114.0 | nM | 4.72 |
| CHEMBL2431490 | — | IC50 | = | 35572.0 | nM | 4.45 |
| CHEMBL2431483 | — | IC50 | = | 39450.0 | nM | 4.40 |
| CHEMBL2431495 | — | IC50 | > | 50000.0 | nM | - |
| CHEMBL1334527 | — | IC50 | > | 50000.0 | nM | - |
| CHEMBL2431493 | — | IC50 | > | 50000.0 | nM | - |
| CHEMBL2431492 | — | IC50 | > | 50000.0 | nM | - |
| CHEMBL2431508 | — | IC50 | > | 50000.0 | nM | - |
| CHEMBL2431512 | — | IC50 | > | 50000.0 | nM | - |
| CHEMBL2431482 | — | IC50 | > | 50000.0 | nM | - |
| CHEMBL2431520 | — | IC50 | > | 50000.0 | nM | - |