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Assay Detail

CHEMBL5357326

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Binding
Inhibition of wild type Plasmodium falciparum DHFR using DHF as substrate assessed as inhibition constant in presence of NADPH by UV-Vis spectrometry analysis
10
Total Activities
10
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Plasmodium falciparum
Confidence 8 — Homologous single protein target
Curated By Autocuration

Target

Bifunctional dihydrofolate reductase-thymidylate synthase (CHEMBL1939)
Type SINGLE PROTEIN
Organism Plasmodium falciparum K1

Publication

Discovery of rigid biphenyl <i>Plasmodium falciparum</i> DHFR inhibitors using a fragment linking strategy.
Hoarau M, Sermmai P, Varatthan T, Thiabma R, Jantra T, Rattanajak R, Vitsupakorn D, Vanichtanankul J, Saepua S, Yuthavong Y, Thongpanchang C, Kamchonwongpaisan S.
RSC Med Chem (2023) 14 : 1755 -1766
PubMed 37731689 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 10 9.37 9.68

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5415214 1 9.68
CHEMBL5397904 1 9.64
CHEMBL5421199 1 9.60
CHEMBL5406769 1 9.54
CHEMBL5417784 1 9.54
CHEMBL3040038 1 9.37
CHEMBL5432011 1 9.32
CHEMBL22 TRIMETHOPRIM 4.0 1 9.23
CHEMBL5440218 1 8.97
CHEMBL5404134 1 8.80

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5415214 Ki = 0.21 nM 9.68
CHEMBL5397904 Ki = 0.23 nM 9.64
CHEMBL5421199 Ki = 0.25 nM 9.60
CHEMBL5406769 Ki = 0.29 nM 9.54
CHEMBL5417784 Ki = 0.29 nM 9.54
CHEMBL3040038 Ki = 0.43 nM 9.37
CHEMBL5432011 Ki = 0.48 nM 9.32
CHEMBL22 TRIMETHOPRIM Ki = 0.59 nM 9.23
CHEMBL5440218 Ki = 1.06 nM 8.97
CHEMBL5404134 Ki = 1.59 nM 8.80