Assay Detail
Binding
CHEMBL681890
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Inhibitory activity against farnesyl Pyrophosphate Synthase was determined
61
Total Activities
61
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 |
|---|---|---|---|
| IC50 | 61 | 5.82 | 6.96 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL55140 | — | — | 1 | 6.96 |
| CHEMBL434024 | — | — | 1 | 6.85 |
| CHEMBL56253 | (CYCLOHEXYLAMINO)METHYLENEDIPHOSPHONIC ACID | — | 1 | 6.80 |
| CHEMBL301065 | — | — | 1 | 6.80 |
| CHEMBL923 | RISEDRONIC ACID | 4.0 | 1 | 6.77 |
| CHEMBL294192 | — | — | 1 | 6.77 |
| CHEMBL55557 | — | — | 1 | 6.75 |
| CHEMBL291736 | — | — | 1 | 6.68 |
| CHEMBL55608 | (BUTYLAMINO)METHYLENEDIPHOSPHONIC ACID | — | 1 | 6.68 |
| CHEMBL53950 | INCADRONIC ACID | 2.0 | 1 | 6.64 |
| CHEMBL54714 | — | — | 1 | 6.62 |
| CHEMBL55464 | — | — | 1 | 6.60 |
| CHEMBL301244 | — | — | 1 | 6.51 |
| CHEMBL301247 | — | — | 1 | 6.48 |
| CHEMBL56255 | (PENTYLAMINO)METHYLENEDIPHOSPHONIC ACID | — | 1 | 6.46 |
| CHEMBL56011 | — | — | 1 | 6.44 |
| CHEMBL294191 | — | — | 1 | 6.38 |
| CHEMBL291727 | — | — | 1 | 6.37 |
| CHEMBL316844 | — | — | 1 | 6.35 |
| CHEMBL997 | IBANDRONIC ACID | 4.0 | 1 | 6.32 |
| CHEMBL55856 | (ISOPENTYLAMINO)METHYLENEDIPHOSPHONIC ACID | — | 1 | 6.31 |
| CHEMBL56073 | — | — | 1 | 6.31 |
| CHEMBL54537 | — | — | 1 | 6.30 |
| CHEMBL54472 | N-(HEXAMETHYLENEIMINO)METHYLENEBISPHOSPHONIC ACID | — | 1 | 6.29 |
| CHEMBL58830 | (CYCLOPENTYLAMINO)METHYLENEDIPHOSPHONIC ACID | — | 1 | 6.27 |
| CHEMBL294478 | (ISOBUTYLAMINO)METHYLENEDIPHOSPHONIC ACID | — | 1 | 6.11 |
| CHEMBL417549 | (NONYLAMINO)METHYLENEDIPHOSPHONIC ACID | — | 1 | 6.05 |
| CHEMBL870 | ALENDRONIC ACID | 4.0 | 1 | 6.02 |
| CHEMBL55358 | — | — | 1 | 6.00 |
| CHEMBL54480 | — | — | 1 | 5.96 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL55140 | — | IC50 | = | 110.0 | nM | 6.96 |
| CHEMBL434024 | — | IC50 | = | 140.0 | nM | 6.85 |
| CHEMBL301065 | — | IC50 | = | 160.0 | nM | 6.80 |
| CHEMBL56253 | (CYCLOHEXYLAMINO)METHYLENEDIPHOSPHONIC ACID | IC50 | = | 160.0 | nM | 6.80 |
| CHEMBL923 | RISEDRONIC ACID | IC50 | = | 170.0 | nM | 6.77 |
| CHEMBL294192 | — | IC50 | = | 170.0 | nM | 6.77 |
| CHEMBL55557 | — | IC50 | = | 180.0 | nM | 6.75 |
| CHEMBL291736 | — | IC50 | = | 210.0 | nM | 6.68 |
| CHEMBL55608 | (BUTYLAMINO)METHYLENEDIPHOSPHONIC ACID | IC50 | = | 210.0 | nM | 6.68 |
| CHEMBL53950 | INCADRONIC ACID | IC50 | = | 230.0 | nM | 6.64 |
| CHEMBL54714 | — | IC50 | = | 240.0 | nM | 6.62 |
| CHEMBL55464 | — | IC50 | = | 250.0 | nM | 6.60 |
| CHEMBL301244 | — | IC50 | = | 310.0 | nM | 6.51 |
| CHEMBL301247 | — | IC50 | = | 330.0 | nM | 6.48 |
| CHEMBL56255 | (PENTYLAMINO)METHYLENEDIPHOSPHONIC ACID | IC50 | = | 350.0 | nM | 6.46 |
| CHEMBL56011 | — | IC50 | = | 360.0 | nM | 6.44 |
| CHEMBL294191 | — | IC50 | = | 420.0 | nM | 6.38 |
| CHEMBL291727 | — | IC50 | = | 430.0 | nM | 6.37 |
| CHEMBL316844 | — | IC50 | = | 450.0 | nM | 6.35 |
| CHEMBL997 | IBANDRONIC ACID | IC50 | = | 480.0 | nM | 6.32 |
| CHEMBL55856 | (ISOPENTYLAMINO)METHYLENEDIPHOSPHONIC ACID | IC50 | = | 490.0 | nM | 6.31 |
| CHEMBL56073 | — | IC50 | = | 490.0 | nM | 6.31 |
| CHEMBL54537 | — | IC50 | = | 500.0 | nM | 6.30 |
| CHEMBL54472 | N-(HEXAMETHYLENEIMINO)METHYLENEBISPHOSPHONIC ACID | IC50 | = | 510.0 | nM | 6.29 |
| CHEMBL58830 | (CYCLOPENTYLAMINO)METHYLENEDIPHOSPHONIC ACID | IC50 | = | 540.0 | nM | 6.27 |
| CHEMBL294478 | (ISOBUTYLAMINO)METHYLENEDIPHOSPHONIC ACID | IC50 | = | 780.0 | nM | 6.11 |
| CHEMBL417549 | (NONYLAMINO)METHYLENEDIPHOSPHONIC ACID | IC50 | = | 900.0 | nM | 6.05 |
| CHEMBL870 | ALENDRONIC ACID | IC50 | = | 950.0 | nM | 6.02 |
| CHEMBL55358 | — | IC50 | = | 1000.0 | nM | 6.00 |
| CHEMBL54480 | — | IC50 | = | 1100.0 | nM | 5.96 |
| CHEMBL55886 | — | IC50 | = | 1300.0 | nM | 5.89 |
| CHEMBL55959 | — | IC50 | = | 1300.0 | nM | 5.89 |
| CHEMBL100483 | — | IC50 | = | 1400.0 | nM | 5.85 |
| CHEMBL299717 | (PROPYLAMINO)METHYLENEDIPHOSPHONIC ACID | IC50 | = | 1700.0 | nM | 5.77 |
| CHEMBL56254 | (HEXYLAMINO)METHYLENEDIPHOSPHONIC ACID | IC50 | = | 1700.0 | nM | 5.77 |
| CHEMBL293116 | — | IC50 | = | 1900.0 | nM | 5.72 |
| CHEMBL834 | PAMIDRONIC ACID | IC50 | = | 1900.0 | nM | 5.72 |
| CHEMBL412889 | (CYCLOOCTYLAMINO)METHYLENEDIPHOSPHONIC ACID | IC50 | = | 2400.0 | nM | 5.62 |
| CHEMBL54004 | — | IC50 | = | 2400.0 | nM | 5.62 |
| CHEMBL52137 | — | IC50 | = | 3200.0 | nM | 5.50 |
| CHEMBL54926 | (CYCLOBUTYLAMINO)METHYLENEDIPHOSPHONIC ACID | IC50 | = | 3300.0 | nM | 5.48 |
| CHEMBL298852 | — | IC50 | = | 3400.0 | nM | 5.47 |
| CHEMBL298771 | — | IC50 | = | 4400.0 | nM | 5.36 |
| CHEMBL55214 | NERIDRONIC ACID | IC50 | = | 4600.0 | nM | 5.34 |
| CHEMBL293522 | — | IC50 | = | 5400.0 | nM | 5.27 |
| CHEMBL55264 | — | IC50 | = | 5900.0 | nM | 5.23 |
| CHEMBL55837 | — | IC50 | = | 6500.0 | nM | 5.19 |
| CHEMBL54747 | — | IC50 | = | 6800.0 | nM | 5.17 |
| CHEMBL55572 | — | IC50 | = | 6700.0 | nM | 5.17 |
| CHEMBL416301 | — | IC50 | = | 7800.0 | nM | 5.11 |