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Assay Detail

CHEMBL867014

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

Binding
Inhibition of DHFR from Escherichia coli
19
Total Activities
19
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

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 19 6.43 8.18

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL34259 METHOTREXATE 4.0 1 8.18
CHEMBL225180 1 4.68
CHEMBL225072 PEMETREXED 4.0 1 -
CHEMBL225071 RALTITREXED 4.0 1 -
CHEMBL389051 1 -
CHEMBL202337 1 -
CHEMBL436761 1 -
CHEMBL202098 1 -
CHEMBL202490 1 -
CHEMBL369906 1 -
CHEMBL202176 1 -
CHEMBL201618 1 -
CHEMBL383829 1 -
CHEMBL371666 1 -
CHEMBL370116 1 -
CHEMBL381723 1 -
CHEMBL201617 1 -
CHEMBL201941 1 -
CHEMBL371860 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL34259 METHOTREXATE IC50 = 6.6 nM 8.18
CHEMBL225180 IC50 = 21000.0 nM 4.68
CHEMBL225072 PEMETREXED IC50 = 230000.0 nM -
CHEMBL225071 RALTITREXED IC50 - -
CHEMBL389051 IC50 - -
CHEMBL202337 IC50 - -
CHEMBL436761 IC50 - -
CHEMBL202098 IC50 - -
CHEMBL202490 IC50 - -
CHEMBL369906 IC50 - -
CHEMBL202176 IC50 - -
CHEMBL201618 IC50 - -
CHEMBL383829 IC50 - -
CHEMBL371666 IC50 - -
CHEMBL370116 IC50 - -
CHEMBL381723 IC50 - -
CHEMBL201617 IC50 - -
CHEMBL201941 IC50 - -
CHEMBL371860 IC50 > 21000.0 nM -