Assay Detail
Binding
CHEMBL681891
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Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligand
62
Total Activities
62
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Leishmania major |
| Confidence | 8 — Homologous single protein target |
| Curated By | Expert |
Publication
3-D QSAR investigations of the inhibition of Leishmania major farnesyl pyrophosphate synthase by bisphosphonates.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 62 | 6.86 | 8.00 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL340034 | — | — | 1 | 8.00 |
| CHEMBL55140 | — | — | 1 | 7.96 |
| CHEMBL434024 | — | — | 1 | 7.85 |
| CHEMBL301065 | — | — | 1 | 7.82 |
| CHEMBL294192 | — | — | 1 | 7.80 |
| CHEMBL923 | RISEDRONIC ACID | 4.0 | 1 | 7.80 |
| CHEMBL56253 | (CYCLOHEXYLAMINO)METHYLENEDIPHOSPHONIC ACID | — | 1 | 7.80 |
| CHEMBL55557 | — | — | 1 | 7.77 |
| CHEMBL55608 | (BUTYLAMINO)METHYLENEDIPHOSPHONIC ACID | — | 1 | 7.70 |
| CHEMBL291736 | — | — | 1 | 7.70 |
| CHEMBL53950 | INCADRONIC ACID | 2.0 | 1 | 7.66 |
| CHEMBL54714 | — | — | 1 | 7.64 |
| CHEMBL55464 | — | — | 1 | 7.62 |
| CHEMBL301247 | — | — | 1 | 7.52 |
| CHEMBL301244 | — | — | 1 | 7.52 |
| CHEMBL56255 | (PENTYLAMINO)METHYLENEDIPHOSPHONIC ACID | — | 1 | 7.48 |
| CHEMBL56011 | — | — | 1 | 7.47 |
| CHEMBL294191 | — | — | 1 | 7.40 |
| CHEMBL291727 | — | — | 1 | 7.39 |
| CHEMBL316844 | — | — | 1 | 7.37 |
| CHEMBL997 | IBANDRONIC ACID | 4.0 | 1 | 7.34 |
| CHEMBL56073 | — | — | 1 | 7.34 |
| CHEMBL55856 | (ISOPENTYLAMINO)METHYLENEDIPHOSPHONIC ACID | — | 1 | 7.33 |
| CHEMBL54537 | — | — | 1 | 7.33 |
| CHEMBL54472 | N-(HEXAMETHYLENEIMINO)METHYLENEBISPHOSPHONIC ACID | — | 1 | 7.31 |
| CHEMBL58830 | (CYCLOPENTYLAMINO)METHYLENEDIPHOSPHONIC ACID | — | 1 | 7.28 |
| CHEMBL294478 | (ISOBUTYLAMINO)METHYLENEDIPHOSPHONIC ACID | — | 1 | 7.12 |
| CHEMBL417549 | (NONYLAMINO)METHYLENEDIPHOSPHONIC ACID | — | 1 | 7.07 |
| CHEMBL870 | ALENDRONIC ACID | 4.0 | 1 | 7.04 |
| CHEMBL55358 | — | — | 1 | 7.00 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL340034 | — | Ki | = | 10.0 | nM | 8.00 |
| CHEMBL55140 | — | Ki | = | 11.0 | nM | 7.96 |
| CHEMBL434024 | — | Ki | = | 14.0 | nM | 7.85 |
| CHEMBL301065 | — | Ki | = | 15.0 | nM | 7.82 |
| CHEMBL294192 | — | Ki | = | 16.0 | nM | 7.80 |
| CHEMBL923 | RISEDRONIC ACID | Ki | = | 16.0 | nM | 7.80 |
| CHEMBL56253 | (CYCLOHEXYLAMINO)METHYLENEDIPHOSPHONIC ACID | Ki | = | 16.0 | nM | 7.80 |
| CHEMBL55557 | — | Ki | = | 17.0 | nM | 7.77 |
| CHEMBL55608 | (BUTYLAMINO)METHYLENEDIPHOSPHONIC ACID | Ki | = | 20.0 | nM | 7.70 |
| CHEMBL291736 | — | Ki | = | 20.0 | nM | 7.70 |
| CHEMBL53950 | INCADRONIC ACID | Ki | = | 22.0 | nM | 7.66 |
| CHEMBL54714 | — | Ki | = | 23.0 | nM | 7.64 |
| CHEMBL55464 | — | Ki | = | 24.0 | nM | 7.62 |
| CHEMBL301244 | — | Ki | = | 30.0 | nM | 7.52 |
| CHEMBL301247 | — | Ki | = | 30.0 | nM | 7.52 |
| CHEMBL56255 | (PENTYLAMINO)METHYLENEDIPHOSPHONIC ACID | Ki | = | 33.0 | nM | 7.48 |
| CHEMBL56011 | — | Ki | = | 34.0 | nM | 7.47 |
| CHEMBL294191 | — | Ki | = | 40.0 | nM | 7.40 |
| CHEMBL291727 | — | Ki | = | 41.0 | nM | 7.39 |
| CHEMBL316844 | — | Ki | = | 43.0 | nM | 7.37 |
| CHEMBL997 | IBANDRONIC ACID | Ki | = | 46.0 | nM | 7.34 |
| CHEMBL56073 | — | Ki | = | 46.0 | nM | 7.34 |
| CHEMBL55856 | (ISOPENTYLAMINO)METHYLENEDIPHOSPHONIC ACID | Ki | = | 47.0 | nM | 7.33 |
| CHEMBL54537 | — | Ki | = | 47.0 | nM | 7.33 |
| CHEMBL54472 | N-(HEXAMETHYLENEIMINO)METHYLENEBISPHOSPHONIC ACID | Ki | = | 49.0 | nM | 7.31 |
| CHEMBL58830 | (CYCLOPENTYLAMINO)METHYLENEDIPHOSPHONIC ACID | Ki | = | 52.0 | nM | 7.28 |
| CHEMBL294478 | (ISOBUTYLAMINO)METHYLENEDIPHOSPHONIC ACID | Ki | = | 75.0 | nM | 7.12 |
| CHEMBL417549 | (NONYLAMINO)METHYLENEDIPHOSPHONIC ACID | Ki | = | 86.0 | nM | 7.07 |
| CHEMBL870 | ALENDRONIC ACID | Ki | = | 91.0 | nM | 7.04 |
| CHEMBL55358 | — | Ki | = | 100.0 | nM | 7.00 |
| CHEMBL54480 | — | Ki | = | 110.0 | nM | 6.96 |
| CHEMBL55959 | — | Ki | = | 120.0 | nM | 6.92 |
| CHEMBL55886 | — | Ki | = | 130.0 | nM | 6.89 |
| CHEMBL100483 | — | Ki | = | 140.0 | nM | 6.85 |
| CHEMBL299717 | (PROPYLAMINO)METHYLENEDIPHOSPHONIC ACID | Ki | = | 160.0 | nM | 6.80 |
| CHEMBL56254 | (HEXYLAMINO)METHYLENEDIPHOSPHONIC ACID | Ki | = | 170.0 | nM | 6.77 |
| CHEMBL293116 | — | Ki | = | 180.0 | nM | 6.75 |
| CHEMBL834 | PAMIDRONIC ACID | Ki | = | 180.0 | nM | 6.75 |
| CHEMBL54004 | — | Ki | = | 230.0 | nM | 6.64 |
| CHEMBL412889 | (CYCLOOCTYLAMINO)METHYLENEDIPHOSPHONIC ACID | Ki | = | 230.0 | nM | 6.64 |
| CHEMBL52137 | — | Ki | = | 300.0 | nM | 6.52 |
| CHEMBL54926 | (CYCLOBUTYLAMINO)METHYLENEDIPHOSPHONIC ACID | Ki | = | 310.0 | nM | 6.51 |
| CHEMBL298852 | — | Ki | = | 330.0 | nM | 6.48 |
| CHEMBL298771 | — | Ki | = | 420.0 | nM | 6.38 |
| CHEMBL55214 | NERIDRONIC ACID | Ki | = | 440.0 | nM | 6.36 |
| CHEMBL293522 | — | Ki | = | 510.0 | nM | 6.29 |
| CHEMBL55264 | — | Ki | = | 560.0 | nM | 6.25 |
| CHEMBL55837 | — | Ki | = | 620.0 | nM | 6.21 |
| CHEMBL55572 | — | Ki | = | 640.0 | nM | 6.19 |
| CHEMBL54747 | — | Ki | = | 650.0 | nM | 6.19 |