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Assay Detail

CHEMBL1038911

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

Binding
Inhibition of human DHFR in presence of variable DHFA level by enzyme kinetics assay
16
Total Activities
16
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Dihydrofolate reductase (CHEMBL202)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Design, synthesis, and X-ray crystal structures of 2,4-diaminofuro[2,3-d]pyrimidines as multireceptor tyrosine kinase and dihydrofolate reductase inhibitors.
Gangjee A, Li W, Lin L, Zeng Y, Ihnat M, Warnke LA, Green DW, Cody V, Pace J, Queener SF.
Bioorg Med Chem (2009) 17 : 7324 -7336
PubMed 19748785 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 16 5.94 10.11

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL34259 METHOTREXATE 4.0 1 10.11
CHEMBL606039 1 6.30
CHEMBL603198 1 6.19
CHEMBL595757 1 6.11
CHEMBL594810 1 6.08
CHEMBL603849 1 5.96
CHEMBL594320 1 5.89
CHEMBL610181 1 5.80
CHEMBL595497 1 5.80
CHEMBL605413 1 5.60
CHEMBL604879 1 5.37
CHEMBL594339 1 5.34
CHEMBL22 TRIMETHOPRIM 4.0 1 5.31
CHEMBL606362 1 5.28
CHEMBL593154 1 4.96
CHEMBL594790 1 4.92

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL34259 METHOTREXATE Ki = 0.077 nM 10.11
CHEMBL606039 Ki = 500.0 nM 6.30
CHEMBL603198 Ki = 650.0 nM 6.19
CHEMBL595757 Ki = 770.0 nM 6.11
CHEMBL594810 Ki = 830.0 nM 6.08
CHEMBL603849 Ki = 1100.0 nM 5.96
CHEMBL594320 Ki = 1300.0 nM 5.89
CHEMBL610181 Ki = 1600.0 nM 5.80
CHEMBL595497 Ki = 1600.0 nM 5.80
CHEMBL605413 Ki = 2500.0 nM 5.60
CHEMBL604879 Ki = 4300.0 nM 5.37
CHEMBL594339 Ki = 4600.0 nM 5.34
CHEMBL22 TRIMETHOPRIM Ki = 4900.0 nM 5.31
CHEMBL606362 Ki = 5300.0 nM 5.28
CHEMBL593154 Ki = 11000.0 nM 4.96
CHEMBL594790 Ki = 12000.0 nM 4.92