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Assay Detail

CHEMBL867007

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

Binding
Inhibition of recombinant human DHFR
11
Total Activities
11
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Expert

Target

Dihydrofolate reductase (CHEMBL202)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Dual inhibitors of thymidylate synthase and dihydrofolate reductase as antitumor agents: design, synthesis, and biological evaluation of classical and nonclassical pyrrolo[2,3-d]pyrimidine antifolates(1).
Gangjee A, Jain HD, Phan J, Lin X, Song X, McGuire JJ, Kisliuk RL.
J Med Chem (2006) 49 : 1055 -1065
PubMed 16451071 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 11 6.23 7.66

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL34259 METHOTREXATE 4.0 1 7.66
CHEMBL371860 1 6.38
CHEMBL225180 1 5.68
CHEMBL225072 PEMETREXED 4.0 1 5.18
CHEMBL225071 RALTITREXED 4.0 1 -
CHEMBL389051 1 -
CHEMBL202337 1 -
CHEMBL436761 1 -
CHEMBL369906 1 -
CHEMBL383829 1 -
CHEMBL370116 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL34259 METHOTREXATE IC50 = 22.0 nM 7.66
CHEMBL371860 IC50 = 420.0 nM 6.38
CHEMBL225180 IC50 = 2100.0 nM 5.68
CHEMBL225072 PEMETREXED IC50 = 6600.0 nM 5.18
CHEMBL225071 RALTITREXED IC50 - -
CHEMBL389051 IC50 - -
CHEMBL202337 IC50 - -
CHEMBL436761 IC50 - -
CHEMBL369906 IC50 - -
CHEMBL383829 IC50 - -
CHEMBL370116 IC50 - -