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Assay Detail

CHEMBL1821395

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

Binding
Inhibition of TMP-resistant Staphylococcus aureus DHFR F99Y mutant assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate addition by spectrophotometry
4
Total Activities
4
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Staphylococcus aureus
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Dihydrofolate reductase (CHEMBL1681620)
Type SINGLE PROTEIN
Organism Staphylococcus aureus

Publication

Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Li X, Hilgers M, Cunningham M, Chen Z, Trzoss M, Zhang J, Kohnen L, Lam T, Creighton C, G C K, Nelson K, Kwan B, Stidham M, Brown-Driver V, Shaw KJ, Finn J.
Bioorg Med Chem Lett (2011) 21 : 5171 -5176
PubMed 21831637 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 4 8.24 9.05

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL134561 ICLAPRIM 3.0 1 9.05
CHEMBL1818128 1 8.62
CHEMBL1818129 1 8.22
CHEMBL22 TRIMETHOPRIM 4.0 1 7.05

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL134561 ICLAPRIM Ki = 0.9 nM 9.05
CHEMBL1818128 Ki = 2.4 nM 8.62
CHEMBL1818129 Ki = 6.0 nM 8.22
CHEMBL22 TRIMETHOPRIM Ki = 90.0 nM 7.05