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Assay Detail

CHEMBL664185

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Binding
Inhibitory activity against Dihydrofolate reductase from Pneumocystis carinii was evaluated using 90 uM dihydrofolic acid as substrate
20
Total Activities
20
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Pneumocystis carinii
Confidence 9 — Direct single protein target
Curated By Expert

Target

Dihydrofolate reductase (CHEMBL1926)
Type SINGLE PROTEIN
Organism Pneumocystis carinii

Publication

Nonclassical 2,4-diamino-5-aryl-6-ethylpyrimidine antifolates: activity as inhibitors of dihydrofolate reductase from Pneumocystis carinii and Toxoplasma gondii and as antitumor agents.
Robson C, Meek MA, Grunwaldt JD, Lambert PA, Queener SF, Schmidt D, Griffin RJ.
J Med Chem (1997) 40 : 3040 -3048
PubMed 9301666 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 20 6.37 8.89

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL34259 METHOTREXATE 4.0 1 8.89
CHEMBL7492 PIRITREXIM 2.0 1 7.51
CHEMBL119 TRIMETREXATE 4.0 1 7.38
CHEMBL103086 1 7.00
CHEMBL102850 1 6.57
CHEMBL103981 1 6.57
CHEMBL102447 1 6.35
CHEMBL102418 1 6.34
CHEMBL102996 1 6.34
CHEMBL323359 1 6.28
CHEMBL104020 1 6.24
CHEMBL59530 1 6.07
CHEMBL105526 1 6.03
CHEMBL103971 1 6.02
CHEMBL81294 1 5.99
CHEMBL102967 1 5.89
CHEMBL56170 1 5.80
CHEMBL103558 1 5.66
CHEMBL280378 EPIROPRIM 2.0 1 5.58
CHEMBL3142796 1 4.92

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL34259 METHOTREXATE IC50 = 1.3 nM 8.89
CHEMBL7492 PIRITREXIM IC50 = 31.0 nM 7.51
CHEMBL119 TRIMETREXATE IC50 = 42.0 nM 7.38
CHEMBL103086 IC50 = 100.0 nM 7.00
CHEMBL102850 IC50 = 270.0 nM 6.57
CHEMBL103981 IC50 = 270.0 nM 6.57
CHEMBL102447 IC50 = 450.0 nM 6.35
CHEMBL102418 IC50 = 460.0 nM 6.34
CHEMBL102996 IC50 = 460.0 nM 6.34
CHEMBL323359 IC50 = 530.0 nM 6.28
CHEMBL104020 IC50 = 580.0 nM 6.24
CHEMBL59530 IC50 = 850.0 nM 6.07
CHEMBL105526 IC50 = 930.0 nM 6.03
CHEMBL103971 IC50 = 950.0 nM 6.02
CHEMBL81294 IC50 = 1030.0 nM 5.99
CHEMBL102967 IC50 = 1300.0 nM 5.89
CHEMBL56170 IC50 = 1600.0 nM 5.80
CHEMBL103558 IC50 = 2200.0 nM 5.66
CHEMBL280378 EPIROPRIM IC50 = 2600.0 nM 5.58
CHEMBL3142796 IC50 = 12000.0 nM 4.92