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Assay Detail

CHEMBL879983

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

Binding
Inhibition of Neisseria gonorrhoeae Dihydrofolate reductase(DHFR)
14
Total Activities
14
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Neisseria gonorrhoeae
Confidence 8 — Homologous single protein target
Curated By Expert

Target

Dihydrofolate reductase (CHEMBL202)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

2,4-Diamino-5-benzylpyrimidines and analogues as antibacterial agents. 9. Lipophilic trimethoprim analogues as antigonococcal agents.
Roth B, Baccanari DP, Sigel CW, Hubbell JP, Eaddy J, Kao JC, Grace ME, Rauckman BS.
J Med Chem (1988) 31 : 122 -129
PubMed 3121854 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 14 7.04 7.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL24503 1 7.70
CHEMBL440946 1 7.54
CHEMBL279455 1 7.36
CHEMBL25888 1 7.31
CHEMBL24374 1 7.24
CHEMBL277176 1 7.21
CHEMBL278345 1 7.17
CHEMBL23338 1 7.03
CHEMBL282022 1 6.96
CHEMBL25817 1 6.92
CHEMBL23609 1 6.77
CHEMBL23447 1 6.51
CHEMBL287553 1 6.43
CHEMBL22 TRIMETHOPRIM 4.0 1 6.35

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL24503 IC50 = 20.0 nM 7.70
CHEMBL440946 IC50 = 29.0 nM 7.54
CHEMBL279455 IC50 = 44.0 nM 7.36
CHEMBL25888 IC50 = 49.0 nM 7.31
CHEMBL24374 IC50 = 58.0 nM 7.24
CHEMBL277176 IC50 = 61.0 nM 7.21
CHEMBL278345 IC50 = 67.0 nM 7.17
CHEMBL23338 IC50 = 93.0 nM 7.03
CHEMBL282022 IC50 = 110.0 nM 6.96
CHEMBL25817 IC50 = 120.0 nM 6.92
CHEMBL23609 IC50 = 170.0 nM 6.77
CHEMBL23447 IC50 = 310.0 nM 6.51
CHEMBL287553 IC50 = 370.0 nM 6.43
CHEMBL22 TRIMETHOPRIM IC50 = 450.0 nM 6.35