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Assay Detail

CHEMBL668388

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Binding
Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR)
ChEMBL ↗
75
Total Activities
75
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

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

Publication

Crystallography, quantitative structure-activity relationships, and molecular graphics in a comparative analysis of the inhibition of dihydrofolate reductase from chicken liver and Lactobacillus casei by 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-(substituted-phenyl)-s-triazine s.
Hansch C, Hathaway BA, Guo ZR, Selassie CD, Dietrich SW, Blaney JM, Langridge R, Volz KW, Kaufman BT.
J Med Chem (1984) 27 : 129 -143
PubMed 6420569 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 75 5.45 6.76

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL20224 — — 1 6.76
CHEMBL20424 — — 1 6.69
CHEMBL20812 — — 1 6.61
CHEMBL282754 — — 1 6.57
CHEMBL21031 — — 1 6.55
CHEMBL33558 — — 1 6.45
CHEMBL283740 — — 1 6.44
CHEMBL282932 — — 1 6.33
CHEMBL20587 — — 1 6.27
CHEMBL20922 — — 1 6.09
CHEMBL20975 — — 1 6.00
CHEMBL32063 — — 1 5.99
CHEMBL287436 — — 1 5.90
CHEMBL6671 — — 1 5.87
CHEMBL33014 — — 1 5.79
CHEMBL21032 — — 1 5.69
CHEMBL34274 — — 1 5.69
CHEMBL7357 — — 1 5.68
CHEMBL20368 — — 1 5.68
CHEMBL21254 — — 1 5.67
CHEMBL7035 — — 1 5.66
CHEMBL283173 — — 1 5.64
CHEMBL20129 — — 1 5.64
CHEMBL285019 — — 1 5.64
CHEMBL34627 — — 1 5.63
CHEMBL31004 — — 1 5.61
CHEMBL21258 — — 1 5.59
CHEMBL34396 — — 1 5.58
CHEMBL32304 — — 1 5.58
CHEMBL269704 — — 1 5.57

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL20224 — Ki = 173.78 nM 6.76
CHEMBL20424 — Ki = 204.17 nM 6.69
CHEMBL20812 — Ki = 245.47 nM 6.61
CHEMBL282754 — Ki = 269.15 nM 6.57
CHEMBL21031 — Ki = 281.84 nM 6.55
CHEMBL33558 — Ki = 354.81 nM 6.45
CHEMBL283740 — Ki = 363.08 nM 6.44
CHEMBL282932 — Ki = 467.74 nM 6.33
CHEMBL20587 — Ki = 537.03 nM 6.27
CHEMBL20922 — Ki = 812.83 nM 6.09
CHEMBL20975 — Ki = 1000.0 nM 6.00
CHEMBL32063 — Ki = 1023.29 nM 5.99
CHEMBL287436 — Ki = 1258.93 nM 5.90
CHEMBL6671 — Ki = 1348.96 nM 5.87
CHEMBL33014 — Ki = 1621.81 nM 5.79
CHEMBL21032 — Ki = 2041.74 nM 5.69
CHEMBL34274 — Ki = 2041.74 nM 5.69
CHEMBL7357 — Ki = 2089.3 nM 5.68
CHEMBL20368 — Ki = 2089.3 nM 5.68
CHEMBL21254 — Ki = 2137.96 nM 5.67
CHEMBL7035 — Ki = 2187.76 nM 5.66
CHEMBL283173 — Ki = 2290.87 nM 5.64
CHEMBL20129 — Ki = 2290.87 nM 5.64
CHEMBL285019 — Ki = 2290.87 nM 5.64
CHEMBL34627 — Ki = 2344.23 nM 5.63
CHEMBL31004 — Ki = 2454.71 nM 5.61
CHEMBL21258 — Ki = 2570.4 nM 5.59
CHEMBL34396 — Ki = 2630.27 nM 5.58
CHEMBL32304 — Ki = 2630.27 nM 5.58
CHEMBL269704 — Ki = 2691.53 nM 5.57
CHEMBL34794 — Ki = 2691.53 nM 5.57
CHEMBL283916 — Ki = 2818.38 nM 5.55
CHEMBL20874 — Ki = 3981.07 nM 5.40
CHEMBL287235 — Ki = 4073.8 nM 5.39
CHEMBL414610 — Ki = 4365.16 nM 5.36
CHEMBL30681 — Ki = 4466.84 nM 5.35
CHEMBL268914 — Ki = 4897.79 nM 5.31
CHEMBL33205 — Ki = 5128.61 nM 5.29
CHEMBL33677 — Ki = 5623.41 nM 5.25
CHEMBL282677 — Ki = 6456.54 nM 5.19
CHEMBL7191 — Ki = 6456.54 nM 5.19
CHEMBL268414 — Ki = 6606.93 nM 5.18
CHEMBL33389 — Ki = 7585.78 nM 5.12
CHEMBL6962 — Ki = 8912.51 nM 5.05
CHEMBL7070 — Ki = 10964.78 nM 4.96
CHEMBL34158 — Ki = 12302.69 nM 4.91
CHEMBL267499 — Ki = 13182.57 nM 4.88
CHEMBL6948 — Ki = 16982.44 nM 4.77
CHEMBL747 CYCLOGUANIL Ki = 17378.01 nM 4.76
CHEMBL20861 — Ki = 18197.01 nM 4.74