Assay Detail
Binding
CHEMBL769648
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Inhibitory concentration against human prostaglandin G/H synthase 2 at 25 degrees.
50
Total Activities
50
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 8 — Homologous single protein target |
| Curated By | Expert |
Publication
Estimation of binding affinities for celecoxib analogues with COX-2 via Monte Carlo-extended linear response.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 50 | 6.79 | 8.77 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL29766 | — | — | 1 | 8.77 |
| CHEMBL28913 | — | — | 1 | 8.43 |
| CHEMBL28881 | — | — | 1 | 8.33 |
| CHEMBL280636 | — | — | 1 | 8.28 |
| CHEMBL29899 | — | — | 1 | 8.24 |
| CHEMBL29839 | — | — | 1 | 8.10 |
| CHEMBL283178 | — | — | 1 | 8.05 |
| CHEMBL29887 | — | — | 1 | 8.03 |
| CHEMBL29840 | — | — | 1 | 8.00 |
| CHEMBL282093 | — | — | 1 | 8.00 |
| CHEMBL29717 | — | — | 1 | 7.82 |
| CHEMBL29439 | — | — | 1 | 7.80 |
| CHEMBL29133 | — | — | 1 | 7.66 |
| CHEMBL30084 | — | — | 1 | 7.57 |
| CHEMBL283086 | — | — | 1 | 7.55 |
| CHEMBL29083 | — | — | 1 | 7.55 |
| CHEMBL27975 | — | — | 1 | 7.51 |
| CHEMBL29920 | — | — | 1 | 7.50 |
| CHEMBL118 | CELECOXIB | 4.0 | 1 | 7.40 |
| CHEMBL28527 | MAVACOXIB | 2.0 | 1 | 7.39 |
| CHEMBL282301 | — | — | 1 | 7.31 |
| CHEMBL29533 | — | — | 1 | 7.25 |
| CHEMBL281978 | — | — | 1 | 7.25 |
| CHEMBL418574 | — | — | 1 | 7.24 |
| CHEMBL29844 | — | — | 1 | 7.18 |
| CHEMBL28599 | — | — | 1 | 7.16 |
| CHEMBL28528 | — | — | 1 | 7.12 |
| CHEMBL29842 | — | — | 1 | 7.10 |
| CHEMBL29923 | — | — | 1 | 6.96 |
| CHEMBL283038 | — | — | 1 | 6.92 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL29766 | — | IC50 | = | 1.7 | nM | 8.77 |
| CHEMBL28913 | — | IC50 | = | 3.7 | nM | 8.43 |
| CHEMBL28881 | — | IC50 | = | 4.7 | nM | 8.33 |
| CHEMBL280636 | — | IC50 | = | 5.3 | nM | 8.28 |
| CHEMBL29899 | — | IC50 | = | 5.7 | nM | 8.24 |
| CHEMBL29839 | — | IC50 | = | 8.0 | nM | 8.10 |
| CHEMBL283178 | — | IC50 | = | 9.0 | nM | 8.05 |
| CHEMBL29887 | — | IC50 | = | 9.3 | nM | 8.03 |
| CHEMBL29840 | — | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL282093 | — | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL29717 | — | IC50 | = | 15.0 | nM | 7.82 |
| CHEMBL29439 | — | IC50 | = | 16.0 | nM | 7.80 |
| CHEMBL29133 | — | IC50 | = | 22.0 | nM | 7.66 |
| CHEMBL30084 | — | IC50 | = | 27.0 | nM | 7.57 |
| CHEMBL29083 | — | IC50 | = | 28.0 | nM | 7.55 |
| CHEMBL283086 | — | IC50 | = | 28.0 | nM | 7.55 |
| CHEMBL27975 | — | IC50 | = | 31.0 | nM | 7.51 |
| CHEMBL29920 | — | IC50 | = | 32.0 | nM | 7.50 |
| CHEMBL118 | CELECOXIB | IC50 | = | 40.0 | nM | 7.40 |
| CHEMBL28527 | MAVACOXIB | IC50 | = | 41.0 | nM | 7.39 |
| CHEMBL282301 | — | IC50 | = | 49.0 | nM | 7.31 |
| CHEMBL29533 | — | IC50 | = | 56.0 | nM | 7.25 |
| CHEMBL281978 | — | IC50 | = | 56.0 | nM | 7.25 |
| CHEMBL418574 | — | IC50 | = | 58.0 | nM | 7.24 |
| CHEMBL29844 | — | IC50 | = | 66.0 | nM | 7.18 |
| CHEMBL28599 | — | IC50 | = | 69.0 | nM | 7.16 |
| CHEMBL28528 | — | IC50 | = | 76.0 | nM | 7.12 |
| CHEMBL29842 | — | IC50 | = | 80.0 | nM | 7.10 |
| CHEMBL29923 | — | IC50 | = | 110.0 | nM | 6.96 |
| CHEMBL283038 | — | IC50 | = | 120.0 | nM | 6.92 |
| CHEMBL29942 | — | IC50 | = | 290.0 | nM | 6.54 |
| CHEMBL29136 | — | IC50 | = | 340.0 | nM | 6.47 |
| CHEMBL287447 | — | IC50 | = | 340.0 | nM | 6.47 |
| CHEMBL282084 | — | IC50 | = | 340.0 | nM | 6.47 |
| CHEMBL30236 | — | IC50 | = | 430.0 | nM | 6.37 |
| CHEMBL282360 | — | IC50 | = | 600.0 | nM | 6.22 |
| CHEMBL282838 | — | IC50 | = | 830.0 | nM | 6.08 |
| CHEMBL28801 | — | IC50 | = | 860.0 | nM | 6.07 |
| CHEMBL287170 | — | IC50 | = | 1090.0 | nM | 5.96 |
| CHEMBL28664 | — | IC50 | = | 2630.0 | nM | 5.58 |
| CHEMBL282752 | — | IC50 | = | 3580.0 | nM | 5.45 |
| CHEMBL286277 | — | IC50 | = | 4660.0 | nM | 5.33 |
| CHEMBL29620 | — | IC50 | = | 7730.0 | nM | 5.11 |
| CHEMBL285831 | — | IC50 | = | 8230.0 | nM | 5.08 |
| CHEMBL27733 | — | IC50 | = | 14300.0 | nM | 4.84 |
| CHEMBL281001 | — | IC50 | = | 19800.0 | nM | 4.70 |
| CHEMBL28487 | — | IC50 | = | 29700.0 | nM | 4.53 |
| CHEMBL280573 | — | IC50 | = | 47100.0 | nM | 4.33 |
| CHEMBL29492 | — | IC50 | = | 62800.0 | nM | 4.20 |
| CHEMBL745 | PRIMARY ALCOHOL METABOLITE OF CELECOXIB | IC50 | = | 93300.0 | nM | 4.03 |