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Assay Detail

CHEMBL811761

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Binding
Binding affinity was evaluated as inhibition of recombinant wild type (WT) Plasmodium falciparum DHFR-TS.
5
Total Activities
5
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

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

Publication

Rational drug design approach for overcoming drug resistance: application to pyrimethamine resistance in malaria.
McKie JH, Douglas KT, Chan C, Roser SA, Yates R, Read M, Hyde JE, Dascombe MJ, Yuthavong Y, Sirawaraporn W.
J Med Chem (1998) 41 : 1367 -1370
PubMed 9554869 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 5 8.85 9.52

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL278847 1 9.52
CHEMBL29773 1 8.97
CHEMBL36 PYRIMETHAMINE 4.0 1 8.82
CHEMBL747 CYCLOGUANIL 2.0 1 8.59
CHEMBL2364573 NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE 1 8.33

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL278847 Ki = 0.3 nM 9.52
CHEMBL29773 Ki = 1.07 nM 8.97
CHEMBL36 PYRIMETHAMINE Ki = 1.5 nM 8.82
CHEMBL747 CYCLOGUANIL Ki = 2.6 nM 8.59
CHEMBL2364573 NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE Ki = 4.7 nM 8.33