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Assay Detail

CHEMBL664919

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Binding
Inhibitory activity against Dihydrohydrofolate reductase(DHFR) of Toxoplasma gondii
25
Total Activities
25
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

Further studies on 2,4-diamino-5-(2',5'-disubstituted benzyl)pyrimidines as potent and selective inhibitors of dihydrofolate reductases from three major opportunistic pathogens of AIDS.
Rosowsky A, Forsch RA, Queener SF.
J Med Chem (2003) 46 : 1726 -1736
PubMed 12699390 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 25 6.72 8.08

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL33921 1 8.08
CHEMBL48189 1 7.75
CHEMBL32113 1 7.55
CHEMBL288350 1 7.52
CHEMBL37334 1 7.50
CHEMBL7492 PIRITREXIM 2.0 1 7.37
CHEMBL301769 1 7.37
CHEMBL285279 1 7.24
CHEMBL33922 1 7.14
CHEMBL34823 1 7.01
CHEMBL37520 1 6.96
CHEMBL36310 1 6.75
CHEMBL48203 1 6.72
CHEMBL48296 1 6.62
CHEMBL49246 1 6.51
CHEMBL48963 1 6.33
CHEMBL35437 1 6.30
CHEMBL288647 1 6.22
CHEMBL50379 1 6.11
CHEMBL50597 1 6.07
CHEMBL48648 1 5.96
CHEMBL35080 1 5.80
CHEMBL17323 1 5.77
CHEMBL290806 1 5.70
CHEMBL22 TRIMETHOPRIM 4.0 1 5.55

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL33921 IC50 = 8.4 nM 8.08
CHEMBL48189 IC50 = 18.0 nM 7.75
CHEMBL32113 IC50 = 28.0 nM 7.55
CHEMBL288350 IC50 = 30.0 nM 7.52
CHEMBL37334 IC50 = 32.0 nM 7.50
CHEMBL7492 PIRITREXIM IC50 = 43.0 nM 7.37
CHEMBL301769 IC50 = 43.0 nM 7.37
CHEMBL285279 IC50 = 58.0 nM 7.24
CHEMBL33922 IC50 = 72.0 nM 7.14
CHEMBL34823 IC50 = 97.0 nM 7.01
CHEMBL37520 IC50 = 110.0 nM 6.96
CHEMBL36310 IC50 = 180.0 nM 6.75
CHEMBL48203 IC50 = 190.0 nM 6.72
CHEMBL48296 IC50 = 240.0 nM 6.62
CHEMBL49246 IC50 = 310.0 nM 6.51
CHEMBL48963 IC50 = 470.0 nM 6.33
CHEMBL35437 IC50 = 500.0 nM 6.30
CHEMBL288647 IC50 = 600.0 nM 6.22
CHEMBL50379 IC50 = 770.0 nM 6.11
CHEMBL50597 IC50 = 860.0 nM 6.07
CHEMBL48648 IC50 = 1100.0 nM 5.96
CHEMBL35080 IC50 = 1600.0 nM 5.80
CHEMBL17323 IC50 = 1700.0 nM 5.77
CHEMBL290806 IC50 = 2000.0 nM 5.70
CHEMBL22 TRIMETHOPRIM IC50 = 2800.0 nM 5.55