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Assay Detail

CHEMBL1045261

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

Binding
Inhibition of Bacillus anthracis DHPS expressed in Escherichia coli BL21 (DE3) after 30 mins
22
Total Activities
22
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Bacillus anthracis
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Dihydropteroate synthase (CHEMBL1075045)
Type SINGLE PROTEIN
Organism Bacillus anthracis

Publication

Structural studies of pterin-based inhibitors of dihydropteroate synthase.
Hevener KE, Yun MK, Qi J, Kerr ID, Babaoglu K, Hurdle JG, Balakrishna K, White SW, Lee RE.
J Med Chem (2010) 53 : 166 -177
PubMed 19899766 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 22 4.53 5.10

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL291324 1 5.10
CHEMBL161604 1 4.71
CHEMBL568630 1 4.70
CHEMBL566065 1 4.59
CHEMBL577547 1 4.49
CHEMBL576455 1 4.06
CHEMBL577755 1 4.06
CHEMBL178006 1 -
CHEMBL571066 1 -
CHEMBL577757 1 -
CHEMBL566921 1 -
CHEMBL566922 1 -
CHEMBL567562 1 -
CHEMBL567424 1 -
CHEMBL498980 1 -
CHEMBL51537 1 -
CHEMBL566712 1 -
CHEMBL578135 1 -
CHEMBL344471 1 -
CHEMBL566727 PTERIN-6-CARBOXYLIC ACID 1 -
CHEMBL56190 1 -
CHEMBL567987 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL291324 IC50 = 8000.0 nM 5.10
CHEMBL161604 IC50 = 19300.0 nM 4.71
CHEMBL568630 IC50 = 19800.0 nM 4.70
CHEMBL566065 IC50 = 25900.0 nM 4.59
CHEMBL577547 IC50 = 32400.0 nM 4.49
CHEMBL576455 IC50 = 87100.0 nM 4.06
CHEMBL577755 IC50 = 86700.0 nM 4.06
CHEMBL178006 IC50 - -
CHEMBL571066 IC50 = 108900.0 nM -
CHEMBL577757 IC50 - -
CHEMBL566921 IC50 - -
CHEMBL566922 IC50 > 500000.0 nM -
CHEMBL567562 IC50 - -
CHEMBL567424 IC50 - -
CHEMBL498980 IC50 - -
CHEMBL51537 IC50 - -
CHEMBL566712 IC50 - -
CHEMBL578135 IC50 = 215000.0 nM -
CHEMBL344471 IC50 = 212600.0 nM -
CHEMBL566727 PTERIN-6-CARBOXYLIC ACID IC50 - -
CHEMBL56190 IC50 - -
CHEMBL567987 IC50 = 269300.0 nM -