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Assay Detail

CHEMBL668339

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Binding
Inhibitory activity against Escherichia coli dihydrofolate reductase
ChEMBL ↗
59
Total Activities
58
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Salmonella enterica subsp. enterica serovar Typhi str. CT18
Confidence 8 — Homologous single protein target
Curated By Expert

Target

Dihydrofolate reductase (CHEMBL4888) ↗
Type SINGLE PROTEIN
Organism Salmonella enterica subsp. enterica serovar Typhi

Publication

On the optimization of hydrophobic and hydrophilic substituent interactions of 2,4-diamino-5-(substituted-benzyl)pyrimidines with dihydrofolate reductase.
Selassie CD, Li RL, Poe M, Hansch C.
J Med Chem (1991) 34 : 46 -54
PubMed 1899453 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 59 7.02 8.35

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL32039 TETROXOPRIM 2.0 1 8.35
CHEMBL31891 BRODIMOPRIM 2.0 1 8.18
CHEMBL57787 — — 1 8.12
CHEMBL22 TRIMETHOPRIM 4.0 2 8.08
CHEMBL56318 METIOPRIM 2.0 1 8.07
CHEMBL53516 — — 1 7.96
CHEMBL57582 — — 1 7.82
CHEMBL56757 — — 1 7.77
CHEMBL19633 DIAVERIDINE 2.0 1 7.72
CHEMBL287241 — — 1 7.71
CHEMBL277391 — — 1 7.69
CHEMBL60913 — — 1 7.69
CHEMBL57034 — — 1 7.69
CHEMBL291931 — — 1 7.66
CHEMBL59369 — — 1 7.54
CHEMBL22146 — — 1 7.53
CHEMBL56468 — — 1 7.41
CHEMBL29712 — — 1 7.23
CHEMBL31402 — — 1 7.22
CHEMBL56282 — — 1 7.20
CHEMBL57160 — — 1 7.16
CHEMBL56602 — — 1 7.04
CHEMBL19790 — — 1 7.02
CHEMBL274031 — — 1 6.99
CHEMBL18912 — — 1 6.97
CHEMBL18898 — — 1 6.96
CHEMBL18967 — — 1 6.93
CHEMBL56101 — — 1 6.93
CHEMBL19113 — — 1 6.89
CHEMBL32793 — — 1 6.89

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL32039 TETROXOPRIM Ki = 4.467 nM 8.35
CHEMBL31891 BRODIMOPRIM Ki = 6.607 nM 8.18
CHEMBL57787 — Ki = 7.586 nM 8.12
CHEMBL22 TRIMETHOPRIM Ki = 8.318 nM 8.08
CHEMBL22 TRIMETHOPRIM Ki = 8.318 nM 8.08
CHEMBL56318 METIOPRIM Ki = 8.511 nM 8.07
CHEMBL53516 — Ki = 10.96 nM 7.96
CHEMBL57582 — Ki = 15.14 nM 7.82
CHEMBL56757 — Ki = 16.98 nM 7.77
CHEMBL19633 DIAVERIDINE Ki = 19.05 nM 7.72
CHEMBL287241 — Ki = 19.5 nM 7.71
CHEMBL277391 — Ki = 20.42 nM 7.69
CHEMBL60913 — Ki = 20.42 nM 7.69
CHEMBL57034 — Ki = 20.42 nM 7.69
CHEMBL291931 — Ki = 21.88 nM 7.66
CHEMBL59369 — Ki = 28.84 nM 7.54
CHEMBL22146 — Ki = 29.51 nM 7.53
CHEMBL56468 — Ki = 38.9 nM 7.41
CHEMBL29712 — Ki = 58.88 nM 7.23
CHEMBL31402 — Ki = 60.26 nM 7.22
CHEMBL56282 — Ki = 63.1 nM 7.20
CHEMBL57160 — Ki = 69.18 nM 7.16
CHEMBL56602 — Ki = 91.2 nM 7.04
CHEMBL19790 — Ki = 95.5 nM 7.02
CHEMBL274031 — Ki = 102.33 nM 6.99
CHEMBL18912 — Ki = 107.15 nM 6.97
CHEMBL18898 — Ki = 109.65 nM 6.96
CHEMBL18967 — Ki = 117.49 nM 6.93
CHEMBL56101 — Ki = 117.49 nM 6.93
CHEMBL32793 — Ki = 128.82 nM 6.89
CHEMBL19113 — Ki = 128.82 nM 6.89
CHEMBL31547 — Ki = 138.04 nM 6.86
CHEMBL301089 — Ki = 144.54 nM 6.84
CHEMBL31946 — Ki = 151.36 nM 6.82
CHEMBL19293 — Ki = 151.36 nM 6.82
CHEMBL19023 — Ki = 151.36 nM 6.82
CHEMBL19383 — Ki = 165.96 nM 6.78
CHEMBL19406 — Ki = 199.53 nM 6.70
CHEMBL417095 — Ki = 223.87 nM 6.65
CHEMBL31462 — Ki = 257.04 nM 6.59
CHEMBL19771 — Ki = 269.15 nM 6.57
CHEMBL281760 — Ki = 281.84 nM 6.55
CHEMBL31351 — Ki = 295.12 nM 6.53
CHEMBL416177 — Ki = 331.13 nM 6.48
CHEMBL30734 — Ki = 338.84 nM 6.47
CHEMBL279273 — Ki = 346.74 nM 6.46
CHEMBL56668 — Ki = 354.81 nM 6.45
CHEMBL280884 — Ki = 354.81 nM 6.45
CHEMBL418584 — Ki = 398.11 nM 6.40
CHEMBL285209 — Ki = 407.38 nM 6.39