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Assay Detail

CHEMBL858265

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Binding
Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii.
ChEMBL ↗
46
Total Activities
46
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Pneumocystis carinii
Confidence 9 — Direct single protein target
Curated By Expert

Target

Dihydrofolate reductase (CHEMBL1926) ↗
Type SINGLE PROTEIN
Organism Pneumocystis carinii

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 46 7.46 8.73

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL6666 — — 1 8.73
CHEMBL21077 — — 1 8.58
CHEMBL20975 — — 1 8.55
CHEMBL20812 — — 1 8.49
CHEMBL282932 — — 1 8.38
CHEMBL20424 — — 1 8.35
CHEMBL20528 — — 1 8.34
CHEMBL20227 — — 1 8.32
CHEMBL21031 — — 1 8.27
CHEMBL20466 — — 1 8.27
CHEMBL6671 — — 1 8.24
CHEMBL174559 — — 1 8.20
CHEMBL176987 — — 1 8.20
CHEMBL20129 — — 1 8.17
CHEMBL418741 — — 1 8.11
CHEMBL172558 — — 1 8.10
CHEMBL283740 — — 1 8.08
CHEMBL417461 — — 1 7.92
CHEMBL20368 — — 1 7.82
CHEMBL176935 — — 1 7.80
CHEMBL281618 — — 1 7.77
CHEMBL20922 — — 1 7.77
CHEMBL280378 EPIROPRIM 2.0 1 7.76
CHEMBL280726 — — 1 7.73
CHEMBL20480 — — 1 7.71
CHEMBL21032 — — 1 7.67
CHEMBL20628 — — 1 7.65
CHEMBL441503 — — 1 7.60
CHEMBL6771 — — 1 7.42
CHEMBL7357 — — 1 7.19

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL6666 — Ki = 1.862 nM 8.73
CHEMBL21077 — Ki = 2.63 nM 8.58
CHEMBL20975 — Ki = 2.818 nM 8.55
CHEMBL20812 — Ki = 3.236 nM 8.49
CHEMBL282932 — Ki = 4.169 nM 8.38
CHEMBL20424 — Ki = 4.467 nM 8.35
CHEMBL20528 — Ki = 4.571 nM 8.34
CHEMBL20227 — Ki = 4.786 nM 8.32
CHEMBL21031 — Ki = 5.37 nM 8.27
CHEMBL20466 — Ki = 5.37 nM 8.27
CHEMBL6671 — Ki = 5.754 nM 8.24
CHEMBL174559 — Ki = 6.31 nM 8.20
CHEMBL176987 — Ki = 6.31 nM 8.20
CHEMBL20129 — Ki = 6.761 nM 8.17
CHEMBL418741 — Ki = 7.762 nM 8.11
CHEMBL172558 — Ki = 7.943 nM 8.10
CHEMBL283740 — Ki = 8.318 nM 8.08
CHEMBL417461 — Ki = 12.02 nM 7.92
CHEMBL20368 — Ki = 15.14 nM 7.82
CHEMBL176935 — Ki = 15.85 nM 7.80
CHEMBL281618 — Ki = 16.98 nM 7.77
CHEMBL20922 — Ki = 16.98 nM 7.77
CHEMBL280378 EPIROPRIM Ki = 17.38 nM 7.76
CHEMBL280726 — Ki = 18.62 nM 7.73
CHEMBL20480 — Ki = 19.5 nM 7.71
CHEMBL21032 — Ki = 21.38 nM 7.67
CHEMBL20628 — Ki = 22.39 nM 7.65
CHEMBL441503 — Ki = 25.12 nM 7.60
CHEMBL6771 — Ki = 38.02 nM 7.42
CHEMBL7357 — Ki = 64.57 nM 7.19
CHEMBL33677 — Ki = 100.0 nM 7.00
CHEMBL747 CYCLOGUANIL Ki = 109.65 nM 6.96
CHEMBL427826 — Ki = 131.83 nM 6.88
CHEMBL20861 — Ki = 131.83 nM 6.88
CHEMBL22 TRIMETHOPRIM Ki = 151.36 nM 6.82
CHEMBL7004 — Ki = 165.96 nM 6.78
CHEMBL267692 — Ki = 213.8 nM 6.67
CHEMBL174107 — Ki = 251.19 nM 6.60
CHEMBL367266 — Ki = 257.04 nM 6.59
CHEMBL414610 — Ki = 331.13 nM 6.48
CHEMBL119315 — Ki = 630.96 nM 6.20
CHEMBL21051 — Ki = 1174.9 nM 5.93
CHEMBL368269 — Ki = 1584.89 nM 5.80
CHEMBL268356 — Ki = 2344.23 nM 5.63
CHEMBL34158 — Ki = 2511.89 nM 5.60
CHEMBL282677 — Ki = 6309.57 nM 5.20