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Assay Detail

CHEMBL664430

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Binding
Inhibition of dihydrofolate reductase from Pneumocystis carinii.
18
Total Activities
17
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Dihydrofolate reductase (CHEMBL1809)
Type SINGLE PROTEIN
Organism Escherichia coli

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 18 6.91 8.99

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL33697 1 8.99
CHEMBL20587 1 8.62
CHEMBL20224 1 8.42
CHEMBL282044 1 8.11
CHEMBL21254 1 7.90
CHEMBL7130 1 7.65
CHEMBL20393 1 7.35
CHEMBL21258 1 7.34
CHEMBL20874 1 7.22
CHEMBL6948 1 7.11
CHEMBL268914 1 6.93
CHEMBL6742 1 6.51
CHEMBL266319 1 6.46
CHEMBL20911 2 6.03
CHEMBL278587 1 5.83
CHEMBL284553 1 4.70
CHEMBL266734 1 4.15

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL33697 Ki = 1.023 nM 8.99
CHEMBL20587 Ki = 2.399 nM 8.62
CHEMBL20224 Ki = 3.802 nM 8.42
CHEMBL282044 Ki = 7.762 nM 8.11
CHEMBL21254 Ki = 12.59 nM 7.90
CHEMBL7130 Ki = 22.39 nM 7.65
CHEMBL20393 Ki = 44.67 nM 7.35
CHEMBL21258 Ki = 45.71 nM 7.34
CHEMBL20874 Ki = 60.26 nM 7.22
CHEMBL6948 Ki = 77.62 nM 7.11
CHEMBL268914 Ki = 117.49 nM 6.93
CHEMBL6742 Ki = 309.03 nM 6.51
CHEMBL266319 Ki = 346.74 nM 6.46
CHEMBL20911 Ki = 933.25 nM 6.03
CHEMBL278587 Ki = 1479.11 nM 5.83
CHEMBL20911 Ki = 7244.36 nM 5.14
CHEMBL284553 Ki = 19952.62 nM 4.70
CHEMBL266734 Ki = 70794.58 nM 4.15