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Assay Detail

CHEMBL3820451

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

Binding
Binding affinity to biotinylated Escherichia coli HPPK expressed in Escherichia coli BL21 (DE3) in presence of 1 mM ATP by SPR assay
49
Total Activities
49
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

Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
Dennis ML, Pitcher NP, Lee MD, DeBono AJ, Wang ZC, Harjani JR, Rahmani R, Cleary B, Peat TS, Baell JB, Swarbrick JD.
J Med Chem (2016) 59 : 5248 -5263
PubMed 27094768 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 49 5.10 6.16

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3818894 1 6.16
CHEMBL3819161 1 6.02
CHEMBL3818561 1 6.01
CHEMBL3818521 1 5.85
CHEMBL3819246 1 5.77
CHEMBL3818783 1 5.77
CHEMBL3817872 1 5.75
CHEMBL3818467 1 5.75
CHEMBL3818609 1 5.70
CHEMBL3818002 1 5.67
CHEMBL3818008 1 5.66
CHEMBL3818011 1 5.60
CHEMBL3819387 1 5.58
CHEMBL3819281 1 5.57
CHEMBL3819223 1 5.46
CHEMBL3819104 1 5.41
CHEMBL276808 1 5.37
CHEMBL3819092 1 5.28
CHEMBL3818636 1 5.28
CHEMBL3818368 1 5.24
CHEMBL3818912 1 5.24
CHEMBL3819267 1 5.24
CHEMBL3818941 1 5.21
CHEMBL3818195 1 5.16
CHEMBL3818754 1 5.15
CHEMBL3819638 1 5.07
CHEMBL3819017 1 5.00
CHEMBL3817885 1 4.97
CHEMBL3818245 1 4.90
CHEMBL3819098 1 4.79

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3818894 Kd = 700.0 nM 6.16
CHEMBL3819161 Kd = 950.0 nM 6.02
CHEMBL3818561 Kd = 965.0 nM 6.01
CHEMBL3818521 Kd = 1400.0 nM 5.85
CHEMBL3819246 Kd = 1700.0 nM 5.77
CHEMBL3818783 Kd = 1700.0 nM 5.77
CHEMBL3817872 Kd = 1760.0 nM 5.75
CHEMBL3818467 Kd = 1800.0 nM 5.75
CHEMBL3818609 Kd = 2000.0 nM 5.70
CHEMBL3818002 Kd = 2130.0 nM 5.67
CHEMBL3818008 Kd = 2200.0 nM 5.66
CHEMBL3818011 Kd = 2500.0 nM 5.60
CHEMBL3819387 Kd = 2600.0 nM 5.58
CHEMBL3819281 Kd = 2700.0 nM 5.57
CHEMBL3819223 Kd = 3500.0 nM 5.46
CHEMBL3819104 Kd = 3900.0 nM 5.41
CHEMBL276808 Kd = 4300.0 nM 5.37
CHEMBL3819092 Kd = 5300.0 nM 5.28
CHEMBL3818636 Kd = 5200.0 nM 5.28
CHEMBL3818368 Kd = 5700.0 nM 5.24
CHEMBL3818912 Kd = 5700.0 nM 5.24
CHEMBL3819267 Kd = 5800.0 nM 5.24
CHEMBL3818941 Kd = 6100.0 nM 5.21
CHEMBL3818195 Kd = 6900.0 nM 5.16
CHEMBL3818754 Kd = 7100.0 nM 5.15
CHEMBL3819638 Kd = 8500.0 nM 5.07
CHEMBL3819017 Kd = 10100.0 nM 5.00
CHEMBL3817885 Kd = 10700.0 nM 4.97
CHEMBL3818245 Kd = 12600.0 nM 4.90
CHEMBL3819098 Kd = 16300.0 nM 4.79
CHEMBL3818695 Kd = 23000.0 nM 4.64
CHEMBL3818168 Kd = 23300.0 nM 4.63
CHEMBL3818498 Kd = 26000.0 nM 4.58
CHEMBL3818603 Kd = 38000.0 nM 4.42
CHEMBL3819615 Kd = 50000.0 nM 4.30
CHEMBL3818814 Kd = 53000.0 nM 4.28
CHEMBL3818744 Kd = 52000.0 nM 4.28
CHEMBL3818099 Kd = 59400.0 nM 4.23
CHEMBL3819390 Kd = 68000.0 nM 4.17
CHEMBL3818772 Kd = 74200.0 nM 4.13
CHEMBL3819144 Kd = 82000.0 nM 4.09
CHEMBL3818353 Kd = 89200.0 nM 4.05
CHEMBL3819351 Kd = 97000.0 nM 4.01
CHEMBL3818653 Kd - -
CHEMBL3817986 Kd - -
CHEMBL3818003 Kd - -
CHEMBL3819275 Kd = 120000.0 nM -
CHEMBL3818302 Kd - -
CHEMBL178006 Kd = 160000.0 nM -