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Assay Detail

CHEMBL667222

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Binding
Inhibitory activity against Lactobacillus casei dihydrofolate reductase
ChEMBL ↗
71
Total Activities
71
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Lacticaseibacillus casei
Confidence 9 — Direct single protein target
Curated By Intermediate

Target

Dihydrofolate reductase (CHEMBL2902) ↗
Type SINGLE PROTEIN
Organism Lactobacillus casei

Publication

On the structure selectivity problem in drug design. A comparative study of benzylpyrimidine inhibition of vertebrate and bacterial dihydrofolate reductase via molecular graphics and quantitative structure-activity relationships.
Selassie CD, Fang ZX, Li RL, Hansch C, Debnath G, Klein TE, Langridge R, Kaufman BT.
J Med Chem (1989) 32 : 1895 -1905
PubMed 2502631 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 71 6.22 7.34

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL57787 — — 1 7.34
CHEMBL280378 EPIROPRIM 2.0 1 7.33
CHEMBL31891 BRODIMOPRIM 2.0 1 7.28
CHEMBL56318 METIOPRIM 2.0 1 7.25
CHEMBL277391 — — 1 7.10
CHEMBL19633 DIAVERIDINE 2.0 1 6.92
CHEMBL291931 — — 1 6.91
CHEMBL22 TRIMETHOPRIM 4.0 1 6.88
CHEMBL57582 — — 1 6.88
CHEMBL57343 — — 1 6.82
CHEMBL53516 — — 1 6.71
CHEMBL300114 — — 1 6.67
CHEMBL29712 — — 1 6.67
CHEMBL301089 — — 1 6.59
CHEMBL56757 — — 1 6.54
CHEMBL21395 — — 1 6.51
CHEMBL31402 — — 1 6.51
CHEMBL57160 — — 1 6.50
CHEMBL22146 — — 1 6.50
CHEMBL298955 — — 1 6.49
CHEMBL59369 — — 1 6.47
CHEMBL293299 ADITOPRIM 2.0 1 6.45
CHEMBL57383 — — 1 6.44
CHEMBL287241 — — 1 6.42
CHEMBL56101 — — 1 6.41
CHEMBL60913 — — 1 6.41
CHEMBL56668 — — 1 6.38
CHEMBL32793 — — 1 6.37
CHEMBL56146 — — 1 6.35
CHEMBL56129 — — 1 6.34

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL57787 — Ki = 45.71 nM 7.34
CHEMBL280378 EPIROPRIM Ki = 46.77 nM 7.33
CHEMBL31891 BRODIMOPRIM Ki = 52.48 nM 7.28
CHEMBL56318 METIOPRIM Ki = 56.23 nM 7.25
CHEMBL277391 — Ki = 79.43 nM 7.10
CHEMBL19633 DIAVERIDINE Ki = 120.23 nM 6.92
CHEMBL291931 — Ki = 123.03 nM 6.91
CHEMBL22 TRIMETHOPRIM Ki = 131.83 nM 6.88
CHEMBL57582 — Ki = 131.83 nM 6.88
CHEMBL57343 — Ki = 151.36 nM 6.82
CHEMBL53516 — Ki = 194.98 nM 6.71
CHEMBL300114 — Ki = 213.8 nM 6.67
CHEMBL29712 — Ki = 213.8 nM 6.67
CHEMBL301089 — Ki = 257.04 nM 6.59
CHEMBL56757 — Ki = 288.4 nM 6.54
CHEMBL21395 — Ki = 309.03 nM 6.51
CHEMBL31402 — Ki = 309.03 nM 6.51
CHEMBL57160 — Ki = 316.23 nM 6.50
CHEMBL22146 — Ki = 316.23 nM 6.50
CHEMBL298955 — Ki = 323.59 nM 6.49
CHEMBL59369 — Ki = 338.84 nM 6.47
CHEMBL293299 ADITOPRIM Ki = 354.81 nM 6.45
CHEMBL57383 — Ki = 363.08 nM 6.44
CHEMBL287241 — Ki = 380.19 nM 6.42
CHEMBL60913 — Ki = 389.05 nM 6.41
CHEMBL56101 — Ki = 389.05 nM 6.41
CHEMBL56668 — Ki = 416.87 nM 6.38
CHEMBL32793 — Ki = 426.58 nM 6.37
CHEMBL56146 — Ki = 446.68 nM 6.35
CHEMBL56129 — Ki = 457.09 nM 6.34
CHEMBL19771 — Ki = 501.19 nM 6.30
CHEMBL300156 — Ki = 549.54 nM 6.26
CHEMBL32039 TETROXOPRIM Ki = 549.54 nM 6.26
CHEMBL19023 — Ki = 562.34 nM 6.25
CHEMBL57034 — Ki = 588.84 nM 6.23
CHEMBL18898 — Ki = 588.84 nM 6.23
CHEMBL19293 — Ki = 616.6 nM 6.21
CHEMBL280884 — Ki = 645.65 nM 6.19
CHEMBL56468 — Ki = 645.65 nM 6.19
CHEMBL19383 — Ki = 676.08 nM 6.17
CHEMBL19790 — Ki = 691.83 nM 6.16
CHEMBL274031 — Ki = 707.95 nM 6.15
CHEMBL31946 — Ki = 741.31 nM 6.13
CHEMBL31351 — Ki = 758.58 nM 6.12
CHEMBL19113 — Ki = 891.25 nM 6.05
CHEMBL418584 — Ki = 891.25 nM 6.05
CHEMBL18912 — Ki = 1000.0 nM 6.00
CHEMBL19414 — Ki = 1000.0 nM 6.00
CHEMBL31055 — Ki = 1096.48 nM 5.96
CHEMBL18967 — Ki = 1174.9 nM 5.93