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Assay Detail

CHEMBL667186

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Binding
Inhibition constant against binding of Escherichia coli dihydrofolate reductase
ChEMBL ↗
72
Total Activities
72
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Escherichia coli
Confidence 9 — Direct single protein target
Curated By Intermediate

Target

Dihydrofolate reductase (CHEMBL1809) ↗
Type SINGLE PROTEIN
Organism Escherichia coli

Publication

The hypothetical active site lattice. An approach to modelling active sites from data on inhibitor molecules.
Doweyko AM.
J Med Chem (1988) 31 : 1396 -1406
PubMed 3290487 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 72 7.24 10.92

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL286400 — — 1 10.92
CHEMBL14001 — — 1 10.62
CHEMBL31713 — — 1 10.54
CHEMBL31887 — — 1 10.49
CHEMBL418347 — — 1 10.46
CHEMBL31924 — — 1 10.40
CHEMBL274430 — — 1 10.30
CHEMBL13673 — — 1 10.18
CHEMBL13820 — — 1 9.43
CHEMBL30938 — — 1 9.31
CHEMBL418763 — — 1 9.23
CHEMBL31891 BRODIMOPRIM 2.0 1 9.22
CHEMBL22 TRIMETHOPRIM 4.0 1 8.87
CHEMBL30999 — — 1 8.80
CHEMBL14201 — — 1 8.59
CHEMBL287241 — — 1 8.38
CHEMBL31249 — — 1 8.36
CHEMBL32039 TETROXOPRIM 2.0 1 8.35
CHEMBL284821 — — 1 8.30
CHEMBL19633 DIAVERIDINE 2.0 1 7.72
CHEMBL418769 — — 1 7.69
CHEMBL29712 — — 1 7.23
CHEMBL31402 — — 1 7.22
CHEMBL285045 — — 1 7.17
CHEMBL19790 — — 1 7.02
CHEMBL274031 — — 1 6.99
CHEMBL18898 — — 1 6.96
CHEMBL18967 — — 1 6.93
CHEMBL31487 — — 1 6.89
CHEMBL19113 — — 1 6.89

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL286400 — Ki = 0.01202 nM 10.92
CHEMBL14001 — Ki = 0.02399 nM 10.62
CHEMBL31713 — Ki = 0.02884 nM 10.54
CHEMBL31887 — Ki = 0.03236 nM 10.49
CHEMBL418347 — Ki = 0.03467 nM 10.46
CHEMBL31924 — Ki = 0.03981 nM 10.40
CHEMBL274430 — Ki = 0.05012 nM 10.30
CHEMBL13673 — Ki = 0.06607 nM 10.18
CHEMBL13820 — Ki = 0.3715 nM 9.43
CHEMBL30938 — Ki = 0.4898 nM 9.31
CHEMBL418763 — Ki = 0.5888 nM 9.23
CHEMBL31891 BRODIMOPRIM Ki = 0.6026 nM 9.22
CHEMBL22 TRIMETHOPRIM Ki = 1.349 nM 8.87
CHEMBL30999 — Ki = 1.585 nM 8.80
CHEMBL14201 — Ki = 2.57 nM 8.59
CHEMBL287241 — Ki = 4.169 nM 8.38
CHEMBL31249 — Ki = 4.365 nM 8.36
CHEMBL32039 TETROXOPRIM Ki = 4.467 nM 8.35
CHEMBL284821 — Ki = 5.012 nM 8.30
CHEMBL19633 DIAVERIDINE Ki = 19.05 nM 7.72
CHEMBL418769 — Ki = 20.42 nM 7.69
CHEMBL29712 — Ki = 58.88 nM 7.23
CHEMBL31402 — Ki = 60.26 nM 7.22
CHEMBL285045 — Ki = 67.61 nM 7.17
CHEMBL19790 — Ki = 95.5 nM 7.02
CHEMBL274031 — Ki = 102.33 nM 6.99
CHEMBL18898 — Ki = 109.65 nM 6.96
CHEMBL18967 — Ki = 117.49 nM 6.93
CHEMBL31487 — Ki = 128.82 nM 6.89
CHEMBL19113 — Ki = 128.82 nM 6.89
CHEMBL32793 — Ki = 128.82 nM 6.89
CHEMBL31946 — Ki = 151.36 nM 6.82
CHEMBL31547 — Ki = 151.36 nM 6.82
CHEMBL19023 — Ki = 151.36 nM 6.82
CHEMBL19293 — 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
CHEMBL31055 — Ki = 269.15 nM 6.57
CHEMBL281760 — Ki = 281.84 nM 6.55
CHEMBL36 PYRIMETHAMINE 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
CHEMBL280884 — Ki = 354.81 nM 6.45
CHEMBL418584 — Ki = 398.11 nM 6.40
CHEMBL285209 — Ki = 407.38 nM 6.39
CHEMBL19780 — Ki = 446.68 nM 6.35