Assay Detail
Functional
CHEMBL681825
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibitory activity, for stimulation of TNF-alpha release in gamma-delta T cells, using individual observed maximum TNF-alpha release
45
Total Activities
45
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 | 45 | 4.74 | 5.71 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL55214 | NERIDRONIC ACID | 3.0 | 1 | 5.71 |
| CHEMBL319144 | MINODRONIC ACID | 4.0 | 1 | 5.39 |
| CHEMBL55140 | — | — | 1 | 5.37 |
| CHEMBL294192 | — | — | 1 | 5.32 |
| CHEMBL340034 | — | — | 1 | 5.28 |
| CHEMBL434024 | — | — | 1 | 5.24 |
| CHEMBL923 | RISEDRONIC ACID | 4.0 | 1 | 5.16 |
| CHEMBL291736 | — | — | 1 | 5.13 |
| CHEMBL56255 | (PENTYLAMINO)METHYLENEDIPHOSPHONIC ACID | — | 1 | 5.11 |
| CHEMBL301247 | — | — | 1 | 5.11 |
| CHEMBL56011 | — | — | 1 | 5.05 |
| CHEMBL55608 | (BUTYLAMINO)METHYLENEDIPHOSPHONIC ACID | — | 1 | 5.00 |
| CHEMBL125887 | — | — | 1 | 5.00 |
| CHEMBL294191 | — | — | 1 | 5.00 |
| CHEMBL54472 | N-(HEXAMETHYLENEIMINO)METHYLENEBISPHOSPHONIC ACID | — | 1 | 4.96 |
| CHEMBL53950 | INCADRONIC ACID | 2.0 | 1 | 4.96 |
| CHEMBL55959 | — | — | 1 | 4.92 |
| CHEMBL55557 | — | — | 1 | 4.89 |
| CHEMBL301065 | — | — | 1 | 4.85 |
| CHEMBL299717 | (PROPYLAMINO)METHYLENEDIPHOSPHONIC ACID | — | 1 | 4.75 |
| CHEMBL301244 | — | — | 1 | 4.72 |
| CHEMBL55886 | — | — | 1 | 4.66 |
| CHEMBL58830 | (CYCLOPENTYLAMINO)METHYLENEDIPHOSPHONIC ACID | — | 1 | 4.60 |
| CHEMBL997 | IBANDRONIC ACID | 4.0 | 1 | 4.51 |
| CHEMBL56253 | (CYCLOHEXYLAMINO)METHYLENEDIPHOSPHONIC ACID | — | 1 | 4.40 |
| CHEMBL55856 | (ISOPENTYLAMINO)METHYLENEDIPHOSPHONIC ACID | — | 1 | 4.40 |
| CHEMBL55352 | (DIPROPYLAMINO)METHYLENEDIPHOSPHONIC ACID | — | 1 | 4.39 |
| CHEMBL412889 | (CYCLOOCTYLAMINO)METHYLENEDIPHOSPHONIC ACID | — | 1 | 4.36 |
| CHEMBL55812 | OLPADRONIC ACID | 2.0 | 1 | 4.34 |
| CHEMBL870 | ALENDRONIC ACID | 4.0 | 1 | 4.28 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL55214 | NERIDRONIC ACID | IC50 | = | 1960.0 | nM | 5.71 |
| CHEMBL319144 | MINODRONIC ACID | IC50 | = | 4100.0 | nM | 5.39 |
| CHEMBL55140 | — | IC50 | = | 4300.0 | nM | 5.37 |
| CHEMBL294192 | — | IC50 | = | 4800.0 | nM | 5.32 |
| CHEMBL340034 | — | IC50 | = | 5200.0 | nM | 5.28 |
| CHEMBL434024 | — | IC50 | = | 5700.0 | nM | 5.24 |
| CHEMBL923 | RISEDRONIC ACID | IC50 | = | 6900.0 | nM | 5.16 |
| CHEMBL291736 | — | IC50 | = | 7400.0 | nM | 5.13 |
| CHEMBL56255 | (PENTYLAMINO)METHYLENEDIPHOSPHONIC ACID | IC50 | = | 7800.0 | nM | 5.11 |
| CHEMBL301247 | — | IC50 | = | 7800.0 | nM | 5.11 |
| CHEMBL56011 | — | IC50 | = | 9000.0 | nM | 5.05 |
| CHEMBL125887 | — | IC50 | = | 9900.0 | nM | 5.00 |
| CHEMBL294191 | — | IC50 | = | 9900.0 | nM | 5.00 |
| CHEMBL55608 | (BUTYLAMINO)METHYLENEDIPHOSPHONIC ACID | IC50 | = | 10000.0 | nM | 5.00 |
| CHEMBL53950 | INCADRONIC ACID | IC50 | = | 11000.0 | nM | 4.96 |
| CHEMBL54472 | N-(HEXAMETHYLENEIMINO)METHYLENEBISPHOSPHONIC ACID | IC50 | = | 11000.0 | nM | 4.96 |
| CHEMBL55959 | — | IC50 | = | 12000.0 | nM | 4.92 |
| CHEMBL55557 | — | IC50 | = | 13000.0 | nM | 4.89 |
| CHEMBL301065 | — | IC50 | = | 14000.0 | nM | 4.85 |
| CHEMBL299717 | (PROPYLAMINO)METHYLENEDIPHOSPHONIC ACID | IC50 | = | 18000.0 | nM | 4.75 |
| CHEMBL301244 | — | IC50 | = | 19000.0 | nM | 4.72 |
| CHEMBL55886 | — | IC50 | = | 22000.0 | nM | 4.66 |
| CHEMBL58830 | (CYCLOPENTYLAMINO)METHYLENEDIPHOSPHONIC ACID | IC50 | = | 25000.0 | nM | 4.60 |
| CHEMBL997 | IBANDRONIC ACID | IC50 | = | 31000.0 | nM | 4.51 |
| CHEMBL56253 | (CYCLOHEXYLAMINO)METHYLENEDIPHOSPHONIC ACID | IC50 | = | 40000.0 | nM | 4.40 |
| CHEMBL55856 | (ISOPENTYLAMINO)METHYLENEDIPHOSPHONIC ACID | IC50 | = | 40000.0 | nM | 4.40 |
| CHEMBL55352 | (DIPROPYLAMINO)METHYLENEDIPHOSPHONIC ACID | IC50 | = | 41000.0 | nM | 4.39 |
| CHEMBL412889 | (CYCLOOCTYLAMINO)METHYLENEDIPHOSPHONIC ACID | IC50 | = | 44000.0 | nM | 4.36 |
| CHEMBL55812 | OLPADRONIC ACID | IC50 | = | 46000.0 | nM | 4.34 |
| CHEMBL870 | ALENDRONIC ACID | IC50 | = | 53000.0 | nM | 4.28 |
| CHEMBL54926 | (CYCLOBUTYLAMINO)METHYLENEDIPHOSPHONIC ACID | IC50 | = | 56000.0 | nM | 4.25 |
| CHEMBL834 | PAMIDRONIC ACID | IC50 | = | 62000.0 | nM | 4.21 |
| CHEMBL55358 | — | IC50 | = | 63000.0 | nM | 4.20 |
| CHEMBL54537 | — | IC50 | = | 63000.0 | nM | 4.20 |
| CHEMBL417549 | (NONYLAMINO)METHYLENEDIPHOSPHONIC ACID | IC50 | = | 66000.0 | nM | 4.18 |
| CHEMBL52137 | — | IC50 | = | 66000.0 | nM | 4.18 |
| CHEMBL299988 | — | IC50 | = | 90000.0 | nM | 4.05 |
| CHEMBL316844 | — | IC50 | = | 98000.0 | nM | 4.01 |
| CHEMBL54344 | (DIETHYLAMINO)METHYLENEDIPHOSPHONIC ACID | IC50 | = | 132000.0 | nM | - |
| CHEMBL56556 | — | IC50 | = | 395000.0 | nM | - |
| CHEMBL417932 | — | IC50 | = | 251000.0 | nM | - |
| CHEMBL55264 | — | IC50 | = | 213000.0 | nM | - |
| CHEMBL299563 | THIOMORPHOLINOMETHYLENEDIPHOSPHONIC ACID | IC50 | = | 190000.0 | nM | - |
| CHEMBL298771 | — | IC50 | = | 102000.0 | nM | - |
| CHEMBL293522 | — | IC50 | = | 228000.0 | nM | - |