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Assay Detail

CHEMBL664913

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Binding
Inhibition against Dihydrofolate reductase in Toxoplasma gondii
16
Total Activities
16
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Toxoplasma gondii
Confidence 9 — Direct single protein target
Curated By Expert

Target

Bifunctional dihydrofolate reductase-thymidylate synthase (CHEMBL2425)
Type SINGLE PROTEIN
Organism Toxoplasma gondii

Publication

Effect of N9-methylation and bridge atom variation on the activity of 5-substituted 2,4-diaminopyrrolo[2,3-d]pyrimidines against dihydrofolate reductases from Pneumocystis carinii and Toxoplasma gondii.
Gangjee A, Mavandadi F, Queener SF.
J Med Chem (1997) 40 : 1173 -1177
PubMed 9089339 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 16 6.23 8.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL119 TRIMETREXATE 4.0 1 8.00
CHEMBL7492 PIRITREXIM 2.0 1 8.00
CHEMBL34259 METHOTREXATE 4.0 1 7.85
CHEMBL17287 1 6.82
CHEMBL17232 1 6.68
CHEMBL17479 1 6.09
CHEMBL278261 1 6.06
CHEMBL278013 1 6.00
CHEMBL276734 1 5.96
CHEMBL17873 1 5.85
CHEMBL17323 1 5.77
CHEMBL17431 1 5.58
CHEMBL22 TRIMETHOPRIM 4.0 1 5.57
CHEMBL17453 1 5.47
CHEMBL275893 1 5.04
CHEMBL17430 1 4.94

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL119 TRIMETREXATE IC50 = 10.0 nM 8.00
CHEMBL7492 PIRITREXIM IC50 = 10.0 nM 8.00
CHEMBL34259 METHOTREXATE IC50 = 14.0 nM 7.85
CHEMBL17287 IC50 = 150.0 nM 6.82
CHEMBL17232 IC50 = 210.0 nM 6.68
CHEMBL17479 IC50 = 810.0 nM 6.09
CHEMBL278261 IC50 = 870.0 nM 6.06
CHEMBL278013 IC50 = 1000.0 nM 6.00
CHEMBL276734 IC50 = 1100.0 nM 5.96
CHEMBL17873 IC50 = 1400.0 nM 5.85
CHEMBL17323 IC50 = 1700.0 nM 5.77
CHEMBL17431 IC50 = 2600.0 nM 5.58
CHEMBL22 TRIMETHOPRIM IC50 = 2700.0 nM 5.57
CHEMBL17453 IC50 = 3400.0 nM 5.47
CHEMBL275893 IC50 = 9200.0 nM 5.04
CHEMBL17430 IC50 = 11600.0 nM 4.94