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Assay Detail

CHEMBL889603

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Binding
Inhibition of Escherichia coli DHFR
18
Total Activities
18
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Escherichia coli
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Design and synthesis of classical and nonclassical 6-arylthio-2,4-diamino-5-ethylpyrrolo[2,3-d]pyrimidines as antifolates.
Gangjee A, Zeng Y, Talreja T, McGuire JJ, Kisliuk RL, Queener SF.
J Med Chem (2007) 50 : 3046 -3053
PubMed 17552508 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 18 6.90 8.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL438664 1 8.70
CHEMBL34259 METHOTREXATE 4.0 1 8.18
CHEMBL22 TRIMETHOPRIM 4.0 1 7.70
CHEMBL389887 1 7.05
CHEMBL388120 1 6.85
CHEMBL226954 1 6.85
CHEMBL226953 1 6.82
CHEMBL226952 1 6.82
CHEMBL387901 1 6.80
CHEMBL227063 1 6.80
CHEMBL389686 1 6.77
CHEMBL227007 1 6.55
CHEMBL227010 1 6.50
CHEMBL388121 1 6.50
CHEMBL227009 1 6.06
CHEMBL227064 1 5.50
CHEMBL227008 1 -
CHEMBL226955 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL438664 IC50 = 2.0 nM 8.70
CHEMBL34259 METHOTREXATE IC50 = 6.6 nM 8.18
CHEMBL22 TRIMETHOPRIM IC50 = 20.0 nM 7.70
CHEMBL389887 IC50 = 90.0 nM 7.05
CHEMBL388120 IC50 = 140.0 nM 6.85
CHEMBL226954 IC50 = 140.0 nM 6.85
CHEMBL226953 IC50 = 150.0 nM 6.82
CHEMBL226952 IC50 = 150.0 nM 6.82
CHEMBL387901 IC50 = 160.0 nM 6.80
CHEMBL227063 IC50 = 160.0 nM 6.80
CHEMBL389686 IC50 = 170.0 nM 6.77
CHEMBL227007 IC50 = 280.0 nM 6.55
CHEMBL227010 IC50 = 320.0 nM 6.50
CHEMBL388121 IC50 = 320.0 nM 6.50
CHEMBL227009 IC50 = 870.0 nM 6.06
CHEMBL227064 IC50 = 3200.0 nM 5.50
CHEMBL227008 IC50 - -
CHEMBL226955 IC50 - -