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Assay Detail

CHEMBL668121

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

Binding
In vitro inhibition of Escherichia coli dihydrofolate reductase.
23
Total Activities
23
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Escherichia coli
Confidence 9 — Direct single protein target
Curated By Intermediate

Target

Dihydrofolate reductase (CHEMBL1809)
Type SINGLE PROTEIN
Organism Escherichia coli

Publication

2,4-Diamino-5-benzylpyrimidines as antibacterial agents. 13. Some alkenyl derivatives with high in vitro activity against anaerobic organisms.
Roth B, Tidwell MY, Ferone R, Baccanari DP, Sigel CW, DeAngelis D, Elwell LP.
J Med Chem (1989) 32 : 1949 -1958
PubMed 2754716 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 23 7.77 8.92

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL59416 1 8.92
CHEMBL23338 1 8.49
CHEMBL278345 1 8.43
CHEMBL23609 1 8.40
CHEMBL22 TRIMETHOPRIM 4.0 1 8.30
CHEMBL301236 1 8.16
CHEMBL23746 1 8.15
CHEMBL59946 1 8.09
CHEMBL303075 1 8.08
CHEMBL279455 1 7.92
CHEMBL58550 1 7.82
CHEMBL59470 1 7.62
CHEMBL24503 1 7.62
CHEMBL60821 1 7.44
CHEMBL26337 1 7.36
CHEMBL412892 1 7.27
CHEMBL59369 1 7.18
CHEMBL61357 1 7.14
CHEMBL59952 1 6.82
CHEMBL57878 1 6.22
CHEMBL282022 1 -
CHEMBL60069 1 -
CHEMBL301030 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL59416 IC50 = 1.2 nM 8.92
CHEMBL23338 IC50 = 3.2 nM 8.49
CHEMBL278345 IC50 = 3.7 nM 8.43
CHEMBL23609 IC50 = 4.0 nM 8.40
CHEMBL22 TRIMETHOPRIM IC50 = 5.0 nM 8.30
CHEMBL301236 IC50 = 6.9 nM 8.16
CHEMBL23746 IC50 = 7.0 nM 8.15
CHEMBL59946 IC50 = 8.1 nM 8.09
CHEMBL303075 IC50 = 8.4 nM 8.08
CHEMBL279455 IC50 = 12.0 nM 7.92
CHEMBL58550 IC50 = 15.0 nM 7.82
CHEMBL59470 IC50 = 24.0 nM 7.62
CHEMBL24503 IC50 = 24.0 nM 7.62
CHEMBL60821 IC50 = 36.0 nM 7.44
CHEMBL26337 IC50 = 44.0 nM 7.36
CHEMBL412892 IC50 = 54.0 nM 7.27
CHEMBL59369 IC50 = 66.0 nM 7.18
CHEMBL61357 IC50 = 73.0 nM 7.14
CHEMBL59952 IC50 = 150.0 nM 6.82
CHEMBL57878 IC50 = 600.0 nM 6.22
CHEMBL282022 IC50 < 10.0 nM -
CHEMBL60069 IC50 < 4.5 nM -
CHEMBL301030 IC50 < 5.0 nM -