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Assay Detail

CHEMBL3239457

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

Binding
Binding affinity to GST-tagged Escherichia coli HPPK expressed in Escherichia coli by SPR assay based alternative equilibrium affinity method in presence of AMP-CPP
14
Total Activities
14
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Escherichia coli
Confidence 8 — Homologous single protein target
Curated By Autocuration

Target

2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase (CHEMBL3217379)
Type SINGLE PROTEIN
Organism Escherichia coli (strain K12)

Publication

The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Yun MK, Hoagland D, Kumar G, Waddell MB, Rock CO, Lee RE, White SW.
Bioorg Med Chem (2014) 22 : 2157 -2165
PubMed 24613625 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 14 4.86 5.24

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3233204 1 5.24
CHEMBL3233208 1 5.23
CHEMBL3233203 1 5.17
CHEMBL506639 ISOGUANINE 1 5.12
CHEMBL3233201 1 5.01
CHEMBL3233205 1 4.95
CHEMBL3233207 1 4.84
CHEMBL727 THIOGUANINE 4.0 1 4.75
CHEMBL3233216 1 4.75
CHEMBL3233209 1 4.72
CHEMBL3233202 1 4.54
CHEMBL219568 GUANINE 3.0 1 4.42
CHEMBL3233206 1 4.41
CHEMBL178006 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3233204 Kd = 5800.0 nM 5.24
CHEMBL3233208 Kd = 5900.0 nM 5.23
CHEMBL3233203 Kd = 6700.0 nM 5.17
CHEMBL506639 ISOGUANINE Kd = 7500.0 nM 5.12
CHEMBL3233201 Kd = 9700.0 nM 5.01
CHEMBL3233205 Kd = 11200.0 nM 4.95
CHEMBL3233207 Kd = 14500.0 nM 4.84
CHEMBL727 THIOGUANINE Kd = 18000.0 nM 4.75
CHEMBL3233216 Kd = 18000.0 nM 4.75
CHEMBL3233209 Kd = 18900.0 nM 4.72
CHEMBL3233202 Kd = 29000.0 nM 4.54
CHEMBL219568 GUANINE Kd = 38000.0 nM 4.42
CHEMBL3233206 Kd = 39000.0 nM 4.41
CHEMBL178006 Kd > 100000.0 nM -