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Assay Detail

CHEMBL665857

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Binding
Inhibitory activity against dihydrofolate reductase from pneumocystis carinii
18
Total Activities
18
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Dihydrofolate reductase (CHEMBL1926)
Type SINGLE PROTEIN
Organism Pneumocystis carinii

Publication

Selective Pneumocystis carinii dihydrofolate reductase inhibitors: design, synthesis, and biological evaluation of new 2,4-diamino-5-substituted-furo[2,3-d]pyrimidines.
Gangjee A, Guo X, Queener SF, Cody V, Galitsky N, Luft JR, Pangborn W.
J Med Chem (1998) 41 : 1263 -1271
PubMed 9548816 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 18 5.12 7.38

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL119 TRIMETREXATE 4.0 1 7.38
CHEMBL283311 1 6.19
CHEMBL280378 EPIROPRIM 2.0 1 5.58
CHEMBL23960 1 5.11
CHEMBL23297 1 5.09
CHEMBL22 TRIMETHOPRIM 4.0 1 4.92
CHEMBL23846 1 4.87
CHEMBL22477 1 4.85
CHEMBL22561 1 4.83
CHEMBL283515 1 4.72
CHEMBL279914 1 4.39
CHEMBL23153 1 4.35
CHEMBL277438 1 4.29
CHEMBL22820 1 -
CHEMBL23658 1 -
CHEMBL23054 1 -
CHEMBL278110 1 -
CHEMBL23353 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL119 TRIMETREXATE IC50 = 42.0 nM 7.38
CHEMBL283311 IC50 = 650.0 nM 6.19
CHEMBL280378 EPIROPRIM IC50 = 2600.0 nM 5.58
CHEMBL23960 IC50 = 7700.0 nM 5.11
CHEMBL23297 IC50 = 8100.0 nM 5.09
CHEMBL22 TRIMETHOPRIM IC50 = 12000.0 nM 4.92
CHEMBL23846 IC50 = 13500.0 nM 4.87
CHEMBL22477 IC50 = 14000.0 nM 4.85
CHEMBL22561 IC50 = 14800.0 nM 4.83
CHEMBL283515 IC50 = 19000.0 nM 4.72
CHEMBL279914 IC50 = 41000.0 nM 4.39
CHEMBL23153 IC50 = 44800.0 nM 4.35
CHEMBL277438 IC50 = 50900.0 nM 4.29
CHEMBL22820 IC50 > 26000.0 nM -
CHEMBL23658 IC50 > 31300.0 nM -
CHEMBL23054 IC50 > 27000.0 nM -
CHEMBL278110 IC50 = 284000.0 nM -
CHEMBL23353 IC50 > 12000.0 nM -