Assay Detail
Binding
CHEMBL1777341
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Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay
36
Total Activities
27
Compounds Tested
2
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Pharmacophore modeling and virtual screening for novel acidic inhibitors of microsomal prostaglandin E₂ synthase-1 (mPGES-1).
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 27 | 6.37 | 9.15 |
| Inhibition | 9 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL482674 | — | — | 1 | 9.15 |
| CHEMBL180650 | — | — | 1 | 8.52 |
| CHEMBL180617 | — | — | 1 | 8.40 |
| CHEMBL182032 | — | — | 1 | 8.15 |
| CHEMBL362242 | — | — | 1 | 7.80 |
| CHEMBL509791 | — | — | 1 | 7.22 |
| CHEMBL484092 | — | — | 1 | 7.22 |
| CHEMBL453202 | — | — | 1 | 7.16 |
| CHEMBL181236 | — | — | 1 | 6.58 |
| CHEMBL507979 | — | — | 1 | 6.41 |
| CHEMBL1774310 | — | — | 2 | 6.40 |
| CHEMBL1378043 | — | — | 2 | 6.30 |
| CHEMBL360114 | — | — | 1 | 6.05 |
| CHEMBL1774305 | — | — | 1 | 5.89 |
| CHEMBL457204 | — | — | 1 | 5.77 |
| CHEMBL1774306 | — | — | 2 | 5.64 |
| CHEMBL1774175 | — | — | 1 | 5.58 |
| CHEMBL1774307 | — | — | 2 | 5.58 |
| CHEMBL565883 | — | — | 2 | 5.55 |
| CHEMBL1774309 | — | — | 2 | 5.52 |
| CHEMBL362663 | — | — | 1 | 5.50 |
| CHEMBL1774311 | — | — | 2 | 5.43 |
| CHEMBL1774176 | — | — | 1 | 5.41 |
| CHEMBL1774174 | — | — | 1 | 5.29 |
| CHEMBL181986 | — | — | 1 | 5.17 |
| CHEMBL1774308 | — | — | 2 | 5.11 |
| CHEMBL1324382 | — | — | 2 | 5.10 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL482674 | — | IC50 | = | 0.7 | nM | 9.15 |
| CHEMBL180650 | — | IC50 | = | 3.0 | nM | 8.52 |
| CHEMBL180617 | — | IC50 | = | 4.0 | nM | 8.40 |
| CHEMBL182032 | — | IC50 | = | 7.0 | nM | 8.15 |
| CHEMBL362242 | — | IC50 | = | 16.0 | nM | 7.80 |
| CHEMBL509791 | — | IC50 | = | 60.0 | nM | 7.22 |
| CHEMBL484092 | — | IC50 | = | 60.0 | nM | 7.22 |
| CHEMBL453202 | — | IC50 | = | 70.0 | nM | 7.16 |
| CHEMBL181236 | — | IC50 | = | 260.0 | nM | 6.58 |
| CHEMBL507979 | — | IC50 | = | 390.0 | nM | 6.41 |
| CHEMBL1774310 | — | IC50 | = | 400.0 | nM | 6.40 |
| CHEMBL1378043 | — | IC50 | = | 500.0 | nM | 6.30 |
| CHEMBL360114 | — | IC50 | = | 900.0 | nM | 6.05 |
| CHEMBL1774305 | — | IC50 | = | 1300.0 | nM | 5.89 |
| CHEMBL457204 | — | IC50 | = | 1700.0 | nM | 5.77 |
| CHEMBL1774306 | — | IC50 | = | 2300.0 | nM | 5.64 |
| CHEMBL1774175 | — | IC50 | = | 2600.0 | nM | 5.58 |
| CHEMBL1774307 | — | IC50 | = | 2600.0 | nM | 5.58 |
| CHEMBL565883 | — | IC50 | = | 2800.0 | nM | 5.55 |
| CHEMBL1774309 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL362663 | — | IC50 | = | 3200.0 | nM | 5.50 |
| CHEMBL1774311 | — | IC50 | = | 3700.0 | nM | 5.43 |
| CHEMBL1774176 | — | IC50 | = | 3900.0 | nM | 5.41 |
| CHEMBL1774174 | — | IC50 | = | 5100.0 | nM | 5.29 |
| CHEMBL181986 | — | IC50 | = | 6700.0 | nM | 5.17 |
| CHEMBL1774308 | — | IC50 | = | 7700.0 | nM | 5.11 |
| CHEMBL1324382 | — | IC50 | = | 7900.0 | nM | 5.10 |
| CHEMBL1378043 | — | Inhibition | - | % | - | |
| CHEMBL1774311 | — | Inhibition | - | % | - | |
| CHEMBL1774310 | — | Inhibition | - | % | - | |
| CHEMBL1774309 | — | Inhibition | - | % | - | |
| CHEMBL1774308 | — | Inhibition | - | % | - | |
| CHEMBL1774307 | — | Inhibition | - | % | - | |
| CHEMBL1324382 | — | Inhibition | - | % | - | |
| CHEMBL565883 | — | Inhibition | - | % | - | |
| CHEMBL1774306 | — | Inhibition | - | % | - |