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Assay Detail

CHEMBL3369319

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Allosteric inhibition of human recombinant FPPS using GPP and [3H]IPP as substrate incubated with enzyme for 10 mins prior to substrate addition by liquid scintillation counting analysis
14
Total Activities
14
Compounds Tested
1
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

Multistage screening reveals chameleon ligands of the human farnesyl pyrophosphate synthase: implications to drug discovery for neurodegenerative diseases.
De Schutter JW, Park J, Leung CY, Gormley P, Lin YS, Hu Z, Berghuis AM, Poirier J, Tsantrizos YS.
J Med Chem (2014) 57 : 5764 -5776
PubMed 24911527 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 14 6.80 8.52

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4303669 ZOLEDRONIC ACID 4.0 1 8.52
CHEMBL923 RISEDRONIC ACID 4.0 1 8.22
CHEMBL3087936 1 7.85
CHEMBL2088339 1 7.75
CHEMBL2347862 1 7.66
CHEMBL98110 1 7.48
CHEMBL1231307 1 6.04
CHEMBL3299149 1 5.92
CHEMBL3299051 1 5.48
CHEMBL3299047 1 5.35
CHEMBL3299049 1 4.58
CHEMBL3299048 1 -
CHEMBL3299050 1 -
CHEMBL261311 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4303669 ZOLEDRONIC ACID IC50 = 3.0 nM 8.52
CHEMBL923 RISEDRONIC ACID IC50 = 6.0 nM 8.22
CHEMBL3087936 IC50 = 14.0 nM 7.85
CHEMBL2088339 IC50 = 18.0 nM 7.75
CHEMBL2347862 IC50 = 22.0 nM 7.66
CHEMBL98110 IC50 = 33.0 nM 7.48
CHEMBL1231307 IC50 = 920.0 nM 6.04
CHEMBL3299149 IC50 = 1200.0 nM 5.92
CHEMBL3299051 IC50 = 3300.0 nM 5.48
CHEMBL3299047 IC50 = 4500.0 nM 5.35
CHEMBL3299049 IC50 = 26000.0 nM 4.58
CHEMBL3299048 IC50 > 20000.0 nM -
CHEMBL3299050 IC50 > 20000.0 nM -
CHEMBL261311 IC50 > 800000.0 nM -