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Assay Detail

CHEMBL1072437

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Binding
Inhibition of Mycobacterium avium DHFR at 37 degC by spectrophotometry
12
Total Activities
12
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Mycobacterium avium
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Dihydrofolate reductase (CHEMBL5457)
Type SINGLE PROTEIN
Organism Mycobacterium avium

Publication

2,4-Diamino-5-methyl-6-substituted arylthio-furo[2,3-d]pyrimidines as novel classical and nonclassical antifolates as potential dual thymidylate synthase and dihydrofolate reductase inhibitors.
Gangjee A, Jain HD, Phan J, Guo X, Queener SF, Kisliuk RL.
Bioorg Med Chem (2010) 18 : 953 -961
PubMed 20056546 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 12 5.41 8.82

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL119 TRIMETREXATE 4.0 1 8.82
CHEMBL596672 1 8.01
CHEMBL22 TRIMETHOPRIM 4.0 1 6.52
CHEMBL598293 1 4.79
CHEMBL611984 1 4.63
CHEMBL598090 1 4.62
CHEMBL597885 1 4.59
CHEMBL598292 1 4.55
CHEMBL604722 1 4.51
CHEMBL596680 1 4.25
CHEMBL596681 1 4.21
CHEMBL609896 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL119 TRIMETREXATE IC50 = 1.5 nM 8.82
CHEMBL596672 IC50 = 9.73 nM 8.01
CHEMBL22 TRIMETHOPRIM IC50 = 300.0 nM 6.52
CHEMBL598293 IC50 = 16300.0 nM 4.79
CHEMBL611984 IC50 = 23400.0 nM 4.63
CHEMBL598090 IC50 = 23900.0 nM 4.62
CHEMBL597885 IC50 = 25500.0 nM 4.59
CHEMBL598292 IC50 = 28400.0 nM 4.55
CHEMBL604722 IC50 = 31000.0 nM 4.51
CHEMBL596680 IC50 = 56200.0 nM 4.25
CHEMBL596681 IC50 = 61900.0 nM 4.21
CHEMBL609896 IC50 = 196000.0 nM -