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Assay Detail

CHEMBL669620

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
In vitro inhibitory concentration against rat liver dihydrofolate reductase
34
Total Activities
34
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Expert

Target

Dihydrofolate reductase (CHEMBL2363)
Type SINGLE PROTEIN
Organism Rattus norvegicus

Publication

Structural studies on bioactive compounds. 28. Selective activity of triazenyl-substituted pyrimethamine derivatives against Pneumocystis carinii dihydrofolate reductase.
Stevens MF, Phillip KS, Rathbone DL, O'Shea DM, Queener SF, Schwalbe CH, Lambert PA.
J Med Chem (1997) 40 : 1886 -1893
PubMed 9191966 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 34 5.66 8.52

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL119 TRIMETREXATE 4.0 1 8.52
CHEMBL56170 1 8.49
CHEMBL59530 1 7.82
CHEMBL57222 1 7.50
CHEMBL299045 1 6.48
CHEMBL55584 1 6.36
CHEMBL54659 1 6.30
CHEMBL57610 1 6.24
CHEMBL293822 1 6.05
CHEMBL293265 1 5.96
CHEMBL55903 1 5.77
CHEMBL56862 1 5.75
CHEMBL36 PYRIMETHAMINE 4.0 1 5.64
CHEMBL53902 1 5.64
CHEMBL55526 1 5.46
CHEMBL440479 1 5.30
CHEMBL298538 1 5.16
CHEMBL56532 1 5.14
CHEMBL56311 1 5.11
CHEMBL54007 1 4.99
CHEMBL413323 1 4.79
CHEMBL56861 1 4.76
CHEMBL300876 1 4.75
CHEMBL49246 1 4.72
CHEMBL55764 1 4.71
CHEMBL298819 1 4.58
CHEMBL48203 1 4.58
CHEMBL56456 1 4.57
CHEMBL56709 1 4.55
CHEMBL293321 1 4.17

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL119 TRIMETREXATE IC50 = 3.0 nM 8.52
CHEMBL56170 IC50 = 3.2 nM 8.49
CHEMBL59530 IC50 = 15.0 nM 7.82
CHEMBL57222 IC50 = 32.0 nM 7.50
CHEMBL299045 IC50 = 330.0 nM 6.48
CHEMBL55584 IC50 = 440.0 nM 6.36
CHEMBL54659 IC50 = 500.0 nM 6.30
CHEMBL57610 IC50 = 570.0 nM 6.24
CHEMBL293822 IC50 = 890.0 nM 6.05
CHEMBL293265 IC50 = 1100.0 nM 5.96
CHEMBL55903 IC50 = 1700.0 nM 5.77
CHEMBL56862 IC50 = 1800.0 nM 5.75
CHEMBL36 PYRIMETHAMINE IC50 = 2300.0 nM 5.64
CHEMBL53902 IC50 = 2300.0 nM 5.64
CHEMBL55526 IC50 = 3500.0 nM 5.46
CHEMBL440479 IC50 = 5000.0 nM 5.30
CHEMBL298538 IC50 = 7000.0 nM 5.16
CHEMBL56532 IC50 = 7200.0 nM 5.14
CHEMBL56311 IC50 = 7800.0 nM 5.11
CHEMBL54007 IC50 = 10300.0 nM 4.99
CHEMBL413323 IC50 = 16200.0 nM 4.79
CHEMBL56861 IC50 = 17300.0 nM 4.76
CHEMBL300876 IC50 = 17700.0 nM 4.75
CHEMBL49246 IC50 = 18900.0 nM 4.72
CHEMBL55764 IC50 = 19400.0 nM 4.71
CHEMBL298819 IC50 = 26100.0 nM 4.58
CHEMBL48203 IC50 = 26300.0 nM 4.58
CHEMBL56456 IC50 = 27000.0 nM 4.57
CHEMBL56709 IC50 = 27900.0 nM 4.55
CHEMBL293321 IC50 = 66800.0 nM 4.17
CHEMBL55697 IC50 > 11000.0 nM -
CHEMBL294468 IC50 > 4000.0 nM -
CHEMBL56169 IC50 = 202000.0 nM -
CHEMBL56366 IC50 > 11000.0 nM -