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Assay Detail

CHEMBL924794

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Binding
Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins
ChEMBL ↗
54
Total Activities
27
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Farnesyl pyrophosphate synthase (CHEMBL1782) ↗
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Structure-activity relationships among the nitrogen containing bisphosphonates in clinical use and other analogues: time-dependent inhibition of human farnesyl pyrophosphate synthase.
Dunford JE, Kwaasi AA, Rogers MJ, Barnett BL, Ebetino FH, Russell RG, Oppermann U, Kavanagh KL.
J Med Chem (2008) 51 : 2187 -2195
PubMed 18327899 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 27 7.34 8.39
Ki 27 7.74 10.15

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4303669 ZOLEDRONIC ACID 4.0 2 10.15
CHEMBL923 RISEDRONIC ACID 4.0 2 9.44
CHEMBL434024 — — 2 9.13
CHEMBL408608 — — 2 9.00
CHEMBL55140 — — 2 8.96
CHEMBL259729 — — 2 8.80
CHEMBL291736 — — 2 8.64
CHEMBL294192 — — 2 8.64
CHEMBL406820 — — 2 8.48
CHEMBL414849 — — 2 8.47
CHEMBL997 IBANDRONIC ACID 4.0 2 8.44
CHEMBL99553 — — 2 8.41
CHEMBL99369 PIRIDRONIC ACID 2.0 2 8.35
CHEMBL98110 — — 2 8.13
CHEMBL56253 (CYCLOHEXYLAMINO)METHYLENEDIPHOSPHONIC ACID — 2 8.00
CHEMBL100154 — — 2 7.94
CHEMBL870 ALENDRONIC ACID 4.0 2 7.36
CHEMBL298771 — — 2 7.32
CHEMBL834 PAMIDRONIC ACID 4.0 2 7.25
CHEMBL55214 NERIDRONIC ACID 3.0 2 7.20
CHEMBL293522 — — 2 7.11
CHEMBL98719 — — 2 6.71
CHEMBL56556 — — 2 6.52
CHEMBL1160571 PYROPHOSPHORIC ACID 2.0 2 4.53
CHEMBL397829 — — 2 4.21
CHEMBL260340 — — 2 4.03
CHEMBL261311 — — 2 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4303669 ZOLEDRONIC ACID Ki = 0.07 nM 10.15
CHEMBL923 RISEDRONIC ACID Ki = 0.36 nM 9.44
CHEMBL434024 — Ki = 0.74 nM 9.13
CHEMBL408608 — Ki = 1.0 nM 9.00
CHEMBL55140 — Ki = 1.09 nM 8.96
CHEMBL259729 — Ki = 1.6 nM 8.80
CHEMBL294192 — Ki = 2.3 nM 8.64
CHEMBL291736 — Ki = 2.3 nM 8.64
CHEMBL406820 — Ki = 3.28 nM 8.48
CHEMBL414849 — Ki = 3.4 nM 8.47
CHEMBL997 IBANDRONIC ACID Ki = 3.6 nM 8.44
CHEMBL99553 — Ki = 3.9 nM 8.41
CHEMBL4303669 ZOLEDRONIC ACID IC50 = 4.1 nM 8.39
CHEMBL99369 PIRIDRONIC ACID Ki = 4.45 nM 8.35
CHEMBL923 RISEDRONIC ACID IC50 = 5.7 nM 8.24
CHEMBL55140 — IC50 = 6.2 nM 8.21
CHEMBL98110 — Ki = 7.4 nM 8.13
CHEMBL434024 — IC50 = 9.2 nM 8.04
CHEMBL56253 (CYCLOHEXYLAMINO)METHYLENEDIPHOSPHONIC ACID Ki = 10.0 nM 8.00
CHEMBL408608 — IC50 = 10.3 nM 7.99
CHEMBL100154 — Ki = 11.6 nM 7.94
CHEMBL291736 — IC50 = 11.7 nM 7.93
CHEMBL259729 — IC50 = 13.7 nM 7.86
CHEMBL294192 — IC50 = 15.0 nM 7.82
CHEMBL99553 — IC50 = 19.6 nM 7.71
CHEMBL414849 — IC50 = 21.6 nM 7.67
CHEMBL406820 — IC50 = 23.8 nM 7.62
CHEMBL997 IBANDRONIC ACID IC50 = 25.4 nM 7.59
CHEMBL99369 PIRIDRONIC ACID IC50 = 30.4 nM 7.52
CHEMBL98110 — IC50 = 32.6 nM 7.49
CHEMBL870 ALENDRONIC ACID Ki = 44.2 nM 7.36
CHEMBL298771 — Ki = 48.2 nM 7.32
CHEMBL834 PAMIDRONIC ACID Ki = 55.9 nM 7.25
CHEMBL56253 (CYCLOHEXYLAMINO)METHYLENEDIPHOSPHONIC ACID IC50 = 61.1 nM 7.21
CHEMBL100154 — IC50 = 61.4 nM 7.21
CHEMBL55214 NERIDRONIC ACID Ki = 63.5 nM 7.20
CHEMBL293522 — Ki = 78.0 nM 7.11
CHEMBL98719 — Ki = 196.2 nM 6.71
CHEMBL870 ALENDRONIC ACID IC50 = 260.0 nM 6.58
CHEMBL298771 — IC50 = 298.5 nM 6.53
CHEMBL56556 — Ki = 302.6 nM 6.52
CHEMBL293522 — IC50 = 337.3 nM 6.47
CHEMBL834 PAMIDRONIC ACID IC50 = 353.2 nM 6.45
CHEMBL55214 NERIDRONIC ACID IC50 = 388.2 nM 6.41
CHEMBL98719 — IC50 = 734.5 nM 6.13
CHEMBL56556 — IC50 = 1626.0 nM 5.79
CHEMBL1160571 PYROPHOSPHORIC ACID Ki = 29800.0 nM 4.53
CHEMBL397829 — Ki = 61000.0 nM 4.21
CHEMBL260340 — Ki = 93000.0 nM 4.03
CHEMBL397829 — IC50 = 254000.0 nM -