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Assay Detail

CHEMBL875027

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

Assay Information

Assay Type Binding
Organism Leishmania major
Confidence 9 — Direct single protein target
Curated By Expert

Target

Bifunctional dihydrofolate reductase-thymidylate synthase (CHEMBL4614) ↗
Type SINGLE PROTEIN
Organism Leishmania major

Publication

Quantitative structure-activity relationship of triazine-antifolate inhibition of Leishmania dihydrofolate reductase and cell growth.
Booth RG, Selassie CD, Hansch C, Santi DV.
J Med Chem (1987) 30 : 1218 -1224
PubMed 3599028 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 46 6.21 9.89

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL34259 METHOTREXATE 4.0 1 9.89
CHEMBL20424 — — 1 7.77
CHEMBL20587 — — 1 7.68
CHEMBL20466 — — 1 7.40
CHEMBL282044 — — 1 7.16
CHEMBL21254 — — 1 7.14
CHEMBL6671 — — 1 7.12
CHEMBL20812 — — 1 7.12
CHEMBL20528 — — 1 7.04
CHEMBL21077 — — 1 6.96
CHEMBL282932 — — 1 6.90
CHEMBL418741 — — 1 6.82
CHEMBL20227 — — 1 6.76
CHEMBL283740 — — 1 6.75
CHEMBL417461 — — 1 6.65
CHEMBL20975 — — 1 6.65
CHEMBL20628 — — 1 6.60
CHEMBL20224 — — 1 6.56
CHEMBL20129 — — 1 6.52
CHEMBL20922 — — 1 6.47
CHEMBL21031 — — 1 6.39
CHEMBL20480 — — 1 6.37
CHEMBL20368 — — 1 6.29
CHEMBL441503 — — 1 6.19
CHEMBL20393 — — 1 6.18
CHEMBL21258 — — 1 6.12
CHEMBL280726 — — 1 6.01
CHEMBL7130 — — 1 5.92
CHEMBL7357 — — 1 5.72
CHEMBL20874 — — 1 5.71

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL34259 METHOTREXATE Ki = 0.1288 nM 9.89
CHEMBL20424 — Ki = 16.98 nM 7.77
CHEMBL20587 — Ki = 20.89 nM 7.68
CHEMBL20466 — Ki = 39.81 nM 7.40
CHEMBL282044 — Ki = 69.18 nM 7.16
CHEMBL21254 — Ki = 72.44 nM 7.14
CHEMBL6671 — Ki = 75.86 nM 7.12
CHEMBL20812 — Ki = 75.86 nM 7.12
CHEMBL20528 — Ki = 91.2 nM 7.04
CHEMBL21077 — Ki = 109.65 nM 6.96
CHEMBL282932 — Ki = 125.89 nM 6.90
CHEMBL418741 — Ki = 151.36 nM 6.82
CHEMBL20227 — Ki = 173.78 nM 6.76
CHEMBL283740 — Ki = 177.83 nM 6.75
CHEMBL20975 — Ki = 223.87 nM 6.65
CHEMBL417461 — Ki = 223.87 nM 6.65
CHEMBL20628 — Ki = 251.19 nM 6.60
CHEMBL20224 — Ki = 275.42 nM 6.56
CHEMBL20129 — Ki = 302.0 nM 6.52
CHEMBL20922 — Ki = 338.84 nM 6.47
CHEMBL21031 — Ki = 407.38 nM 6.39
CHEMBL20480 — Ki = 426.58 nM 6.37
CHEMBL20368 — Ki = 512.86 nM 6.29
CHEMBL441503 — Ki = 645.65 nM 6.19
CHEMBL20393 — Ki = 660.69 nM 6.18
CHEMBL21258 — Ki = 758.58 nM 6.12
CHEMBL280726 — Ki = 977.24 nM 6.01
CHEMBL7130 — Ki = 1202.26 nM 5.92
CHEMBL7357 — Ki = 1905.46 nM 5.72
CHEMBL20874 — Ki = 1949.84 nM 5.71
CHEMBL6948 — Ki = 2187.76 nM 5.66
CHEMBL281618 — Ki = 3090.3 nM 5.51
CHEMBL21032 — Ki = 3981.07 nM 5.40
CHEMBL267692 — Ki = 5754.4 nM 5.24
CHEMBL414610 — Ki = 5888.44 nM 5.23
CHEMBL268914 — Ki = 6025.6 nM 5.22
CHEMBL20861 — Ki = 10000.0 nM 5.00
CHEMBL6742 — Ki = 12589.25 nM 4.90
CHEMBL266319 — Ki = 22908.68 nM 4.64
CHEMBL282677 — Ki = 38018.94 nM 4.42
CHEMBL6755 — Ki = 39810.72 nM 4.40
CHEMBL21051 — Ki = 42657.95 nM 4.37
CHEMBL278587 — Ki = 53703.18 nM 4.27
CHEMBL266734 — Ki = 363078.05 nM -
CHEMBL268356 — Ki = 112201.85 nM -
CHEMBL20911 — Ki = 117489.76 nM -