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Assay Detail

CHEMBL858267

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

Binding
Inhibition of human dihydrofolate reductase (DHFR) enzyme
10
Total Activities
10
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Autocuration

Target

Dihydrofolate reductase (CHEMBL202)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Quantitative structure-activity relationships of the inhibition of Pneumocystis carinii dihydrofolate reductase by 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-(X-phenyl)-s-triazines.
Marlowe CK, Selassie CD, Santi DV.
J Med Chem (1995) 38 : 967 -972
PubMed 7699713 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 10 6.68 7.65

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL33697 1 7.65
CHEMBL280378 EPIROPRIM 2.0 1 7.23
CHEMBL6666 1 7.11
CHEMBL7130 1 7.03
CHEMBL22 TRIMETHOPRIM 4.0 1 6.71
CHEMBL20587 1 6.66
CHEMBL21254 1 6.52
CHEMBL281618 1 6.11
CHEMBL176987 1 6.01
CHEMBL6742 1 5.78

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL33697 Ki = 22.39 nM 7.65
CHEMBL280378 EPIROPRIM Ki = 58.88 nM 7.23
CHEMBL6666 Ki = 77.62 nM 7.11
CHEMBL7130 Ki = 93.33 nM 7.03
CHEMBL22 TRIMETHOPRIM Ki = 194.98 nM 6.71
CHEMBL20587 Ki = 218.78 nM 6.66
CHEMBL21254 Ki = 302.0 nM 6.52
CHEMBL281618 Ki = 776.25 nM 6.11
CHEMBL176987 Ki = 977.24 nM 6.01
CHEMBL6742 Ki = 1659.59 nM 5.78