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Assay Detail

CHEMBL4817793

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

Binding
Inhibition of recombinant Plasmodium falciparum N-terminal His6-tagged GGPPS expressed in Escherichia coli expression system assessed as reduction in pyrophosphate release using GPP as substrate incubated for 30 mins followed by substrate addition by PPiLight detection reagent based luminescence assay
33
Total Activities
33
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Plasmodium falciparum
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Nonbisphosphonate inhibitors of Plasmodium falciparum FPPS/GGPPS.
Kabeche S, Aida J, Akther T, Ichikawa T, Ochida A, Pulkoski-Gross MJ, Smith M, Humphries PS, Yeh E.
Bioorg Med Chem Lett (2021) 41 : 127978 -127978
PubMed 33766764 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 33 5.68 6.30

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4867168 1 6.30
CHEMBL4847712 1 6.10
CHEMBL532155 1 6.09
CHEMBL4876627 1 6.03
CHEMBL4870802 1 6.02
CHEMBL4865424 1 6.02
CHEMBL4855233 1 5.99
CHEMBL4851589 1 5.98
CHEMBL4849401 1 5.98
CHEMBL4863548 1 5.88
CHEMBL4874597 1 5.87
CHEMBL4852931 1 5.85
CHEMBL4856601 1 5.79
CHEMBL4871401 1 5.75
CHEMBL4858832 1 5.75
CHEMBL4857440 1 5.74
CHEMBL4872683 1 5.71
CHEMBL4856911 1 5.69
CHEMBL4863651 1 5.67
CHEMBL4866665 1 5.62
CHEMBL4879178 1 5.61
CHEMBL4866275 1 5.55
CHEMBL4847850 1 5.51
CHEMBL4846803 1 5.50
CHEMBL4863081 1 5.42
CHEMBL4848497 1 5.22
CHEMBL4854080 1 5.22
CHEMBL4861274 1 5.22
CHEMBL4861481 1 5.09
CHEMBL4857559 1 4.92

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4867168 IC50 = 500.0 nM 6.30
CHEMBL4847712 IC50 = 800.0 nM 6.10
CHEMBL532155 IC50 = 820.0 nM 6.09
CHEMBL4876627 IC50 = 930.0 nM 6.03
CHEMBL4870802 IC50 = 960.0 nM 6.02
CHEMBL4865424 IC50 = 950.0 nM 6.02
CHEMBL4855233 IC50 = 1030.0 nM 5.99
CHEMBL4851589 IC50 = 1040.0 nM 5.98
CHEMBL4849401 IC50 = 1050.0 nM 5.98
CHEMBL4863548 IC50 = 1330.0 nM 5.88
CHEMBL4874597 IC50 = 1340.0 nM 5.87
CHEMBL4852931 IC50 = 1420.0 nM 5.85
CHEMBL4856601 IC50 = 1610.0 nM 5.79
CHEMBL4871401 IC50 = 1800.0 nM 5.75
CHEMBL4858832 IC50 = 1800.0 nM 5.75
CHEMBL4857440 IC50 = 1830.0 nM 5.74
CHEMBL4872683 IC50 = 1940.0 nM 5.71
CHEMBL4856911 IC50 = 2030.0 nM 5.69
CHEMBL4863651 IC50 = 2150.0 nM 5.67
CHEMBL4866665 IC50 = 2380.0 nM 5.62
CHEMBL4879178 IC50 = 2480.0 nM 5.61
CHEMBL4866275 IC50 = 2790.0 nM 5.55
CHEMBL4847850 IC50 = 3100.0 nM 5.51
CHEMBL4846803 IC50 = 3150.0 nM 5.50
CHEMBL4863081 IC50 = 3790.0 nM 5.42
CHEMBL4848497 IC50 = 6060.0 nM 5.22
CHEMBL4854080 IC50 = 6080.0 nM 5.22
CHEMBL4861274 IC50 = 6000.0 nM 5.22
CHEMBL4861481 IC50 = 8120.0 nM 5.09
CHEMBL4857559 IC50 = 12000.0 nM 4.92
CHEMBL4847938 IC50 = 12990.0 nM 4.89
CHEMBL4848892 IC50 > 10000.0 nM -
CHEMBL4861469 IC50 > 10000.0 nM -