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Assay Detail

CHEMBL944098

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

Binding
Inhibition of human recombinant DHFR
14
Total Activities
14
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Intermediate

Target

Dihydrofolate reductase (CHEMBL202)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Synthesis and biological evaluation of novel 2,4-diaminoquinazoline derivatives as SMN2 promoter activators for the potential treatment of spinal muscular atrophy.
Thurmond J, Butchbach ME, Palomo M, Pease B, Rao M, Bedell L, Keyvan M, Pai G, Mishra R, Haraldsson M, Andresson T, Bragason G, Thosteinsdottir M, Bjornsson JM, Coovert DD, Burghes AH, Gurney ME, Singh J.
J Med Chem (2008) 51 : 449 -469
PubMed 18205293 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 14 6.58 9.41

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL251427 1 9.41
CHEMBL34259 METHOTREXATE 4.0 1 9.00
CHEMBL253976 1 7.60
CHEMBL398416 1 7.47
CHEMBL251906 1 7.41
CHEMBL255019 1 5.08
CHEMBL251428 1 4.97
CHEMBL251430 1 4.26
CHEMBL250231 1 4.01
CHEMBL251675 1 -
CHEMBL251429 1 -
CHEMBL251434 1 -
CHEMBL250075 1 -
CHEMBL413990 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL251427 IC50 = 0.39 nM 9.41
CHEMBL34259 METHOTREXATE IC50 = 1.0 nM 9.00
CHEMBL253976 IC50 = 25.0 nM 7.60
CHEMBL398416 IC50 = 34.0 nM 7.47
CHEMBL251906 IC50 = 39.0 nM 7.41
CHEMBL255019 IC50 = 8400.0 nM 5.08
CHEMBL251428 IC50 = 10700.0 nM 4.97
CHEMBL251430 IC50 = 55200.0 nM 4.26
CHEMBL250231 IC50 = 98000.0 nM 4.01
CHEMBL251675 IC50 - -
CHEMBL251429 IC50 > 125000.0 nM -
CHEMBL251434 IC50 > 125000.0 nM -
CHEMBL250075 IC50 > 125000.0 nM -
CHEMBL413990 IC50 > 125000.0 nM -