Assay Detail
Functional
CHEMBL681826
Review assay metadata, readout intent, target linkage, and publication context from the same page.
pIC50 value for stimulation of TNF-alpha release in gamma-delta T cells, using a constrained maximum TNF-alpha release of 2700 pg/mL
61
Total Activities
61
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Functional |
| Organism | Homo sapiens |
| Cell Type | T-cell |
| Confidence | 0 — Uncurated / Unknown |
| Curated By | Autocuration |
Publication
Quantitative structure-activity relationships for gammadelta T cell activation by bisphosphonates.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 61 | 4.66 | 5.31 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL55140 | — | — | 1 | 5.31 |
| CHEMBL434024 | — | — | 1 | 5.25 |
| CHEMBL923 | RISEDRONIC ACID | 4.0 | 1 | 5.21 |
| CHEMBL340034 | — | — | 1 | 5.14 |
| CHEMBL319144 | MINODRONIC ACID | 4.0 | 1 | 5.10 |
| CHEMBL98110 | — | — | 1 | 4.98 |
| CHEMBL301247 | — | — | 1 | 4.92 |
| CHEMBL54472 | N-(HEXAMETHYLENEIMINO)METHYLENEBISPHOSPHONIC ACID | — | 1 | 4.89 |
| CHEMBL55608 | (BUTYLAMINO)METHYLENEDIPHOSPHONIC ACID | — | 1 | 4.89 |
| CHEMBL55557 | — | — | 1 | 4.84 |
| CHEMBL294192 | — | — | 1 | 4.84 |
| CHEMBL53950 | INCADRONIC ACID | 2.0 | 1 | 4.83 |
| CHEMBL291736 | — | — | 1 | 4.81 |
| CHEMBL294191 | — | — | 1 | 4.79 |
| CHEMBL125887 | — | — | 1 | 4.79 |
| CHEMBL56011 | — | — | 1 | 4.71 |
| CHEMBL55886 | — | — | 1 | 4.68 |
| CHEMBL301244 | — | — | 1 | 4.64 |
| CHEMBL125461 | — | — | 1 | 4.63 |
| CHEMBL301065 | — | — | 1 | 4.62 |
| CHEMBL55959 | — | — | 1 | 4.55 |
| CHEMBL997 | IBANDRONIC ACID | 4.0 | 1 | 4.51 |
| CHEMBL299717 | (PROPYLAMINO)METHYLENEDIPHOSPHONIC ACID | — | 1 | 4.46 |
| CHEMBL56255 | (PENTYLAMINO)METHYLENEDIPHOSPHONIC ACID | — | 1 | 4.39 |
| CHEMBL55856 | (ISOPENTYLAMINO)METHYLENEDIPHOSPHONIC ACID | — | 1 | 4.33 |
| CHEMBL56253 | (CYCLOHEXYLAMINO)METHYLENEDIPHOSPHONIC ACID | — | 1 | 4.33 |
| CHEMBL870 | ALENDRONIC ACID | 4.0 | 1 | 4.28 |
| CHEMBL58830 | (CYCLOPENTYLAMINO)METHYLENEDIPHOSPHONIC ACID | — | 1 | 4.26 |
| CHEMBL124647 | — | — | 1 | 4.20 |
| CHEMBL124796 | — | — | 1 | 4.17 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL55140 | — | IC50 | = | 4897.79 | nM | 5.31 |
| CHEMBL434024 | — | IC50 | = | 5623.41 | nM | 5.25 |
| CHEMBL923 | RISEDRONIC ACID | IC50 | = | 6165.95 | nM | 5.21 |
| CHEMBL340034 | — | IC50 | = | 7244.36 | nM | 5.14 |
| CHEMBL319144 | MINODRONIC ACID | IC50 | = | 7943.28 | nM | 5.10 |
| CHEMBL98110 | — | IC50 | = | 10471.29 | nM | 4.98 |
| CHEMBL301247 | — | IC50 | = | 12022.64 | nM | 4.92 |
| CHEMBL54472 | N-(HEXAMETHYLENEIMINO)METHYLENEBISPHOSPHONIC ACID | IC50 | = | 12882.5 | nM | 4.89 |
| CHEMBL55608 | (BUTYLAMINO)METHYLENEDIPHOSPHONIC ACID | IC50 | = | 12882.5 | nM | 4.89 |
| CHEMBL55557 | — | IC50 | = | 14454.4 | nM | 4.84 |
| CHEMBL294192 | — | IC50 | = | 14454.4 | nM | 4.84 |
| CHEMBL53950 | INCADRONIC ACID | IC50 | = | 14791.08 | nM | 4.83 |
| CHEMBL291736 | — | IC50 | = | 15488.17 | nM | 4.81 |
| CHEMBL294191 | — | IC50 | = | 16218.1 | nM | 4.79 |
| CHEMBL125887 | — | IC50 | = | 16218.1 | nM | 4.79 |
| CHEMBL56011 | — | IC50 | = | 19498.45 | nM | 4.71 |
| CHEMBL55886 | — | IC50 | = | 20892.96 | nM | 4.68 |
| CHEMBL301244 | — | IC50 | = | 22908.68 | nM | 4.64 |
| CHEMBL125461 | — | IC50 | = | 23442.29 | nM | 4.63 |
| CHEMBL301065 | — | IC50 | = | 23988.33 | nM | 4.62 |
| CHEMBL55959 | — | IC50 | = | 28183.83 | nM | 4.55 |
| CHEMBL997 | IBANDRONIC ACID | IC50 | = | 30902.95 | nM | 4.51 |
| CHEMBL299717 | (PROPYLAMINO)METHYLENEDIPHOSPHONIC ACID | IC50 | = | 34673.69 | nM | 4.46 |
| CHEMBL56255 | (PENTYLAMINO)METHYLENEDIPHOSPHONIC ACID | IC50 | = | 40738.03 | nM | 4.39 |
| CHEMBL56253 | (CYCLOHEXYLAMINO)METHYLENEDIPHOSPHONIC ACID | IC50 | = | 46773.51 | nM | 4.33 |
| CHEMBL55856 | (ISOPENTYLAMINO)METHYLENEDIPHOSPHONIC ACID | IC50 | = | 46773.51 | nM | 4.33 |
| CHEMBL870 | ALENDRONIC ACID | IC50 | = | 52480.75 | nM | 4.28 |
| CHEMBL58830 | (CYCLOPENTYLAMINO)METHYLENEDIPHOSPHONIC ACID | IC50 | = | 54954.09 | nM | 4.26 |
| CHEMBL124647 | — | IC50 | = | 63095.73 | nM | 4.20 |
| CHEMBL124796 | — | IC50 | = | 67608.3 | nM | 4.17 |
| CHEMBL331016 | N-(HEPTAMETHYLENEIMINO)METHYLENEBISPHOSPHONIC ACID | IC50 | = | 67608.3 | nM | 4.17 |
| CHEMBL125706 | — | IC50 | = | 72443.6 | nM | 4.14 |
| CHEMBL55352 | (DIPROPYLAMINO)METHYLENEDIPHOSPHONIC ACID | IC50 | = | 83176.38 | nM | 4.08 |
| CHEMBL125188 | — | IC50 | = | 109647.82 | nM | - |
| CHEMBL127801 | — | IC50 | = | 346736.85 | nM | - |
| CHEMBL127186 | — | IC50 | = | 1659586.91 | nM | - |
| CHEMBL412889 | (CYCLOOCTYLAMINO)METHYLENEDIPHOSPHONIC ACID | IC50 | = | 109647.82 | nM | - |
| CHEMBL124324 | — | IC50 | = | 398107.17 | nM | - |
| CHEMBL54926 | (CYCLOBUTYLAMINO)METHYLENEDIPHOSPHONIC ACID | IC50 | = | 125892.54 | nM | - |
| CHEMBL338622 | — | IC50 | = | 2089296.13 | nM | - |
| CHEMBL55214 | NERIDRONIC ACID | IC50 | = | 501187.23 | nM | - |
| CHEMBL417932 | — | IC50 | = | 19952623.15 | nM | - |
| CHEMBL127588 | — | IC50 | = | 8912509.38 | nM | - |
| CHEMBL338917 | — | IC50 | = | 2754228.7 | nM | - |
| CHEMBL298771 | — | IC50 | = | 213796.21 | nM | - |
| CHEMBL299563 | THIOMORPHOLINOMETHYLENEDIPHOSPHONIC ACID | IC50 | = | 602559.59 | nM | - |
| CHEMBL834 | PAMIDRONIC ACID | IC50 | = | 933254.3 | nM | - |
| CHEMBL340090 | — | IC50 | = | 102329.3 | nM | - |
| CHEMBL55358 | — | IC50 | = | 109647.82 | nM | - |
| CHEMBL417549 | (NONYLAMINO)METHYLENEDIPHOSPHONIC ACID | IC50 | = | 169824.37 | nM | - |