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Assay Detail

CHEMBL815675

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

Binding
In vitro inhibition against L1210 thymidylate synthase (TS)
25
Total Activities
25
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Thymidylate synthase (CHEMBL3160)
Type SINGLE PROTEIN
Organism Mus musculus

Publication

Quinazoline antifolate thymidylate synthase inhibitors: bridge modifications and conformationally restricted analogues in the C2-methyl series.
Marsham PR, Jackman AL, Hayter AJ, Daw MR, Snowden JL, O'Connor BM, Bishop JA, Calvert AH, Hughes LR.
J Med Chem (1991) 34 : 2209 -2218
PubMed 2066994 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 25 5.44 7.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL434209 1 7.40
CHEMBL74059 1 6.82
CHEMBL40321 1 6.60
CHEMBL225071 RALTITREXED 4.0 1 6.17
CHEMBL307949 1 6.14
CHEMBL69232 1 5.97
CHEMBL74064 1 5.58
CHEMBL71035 1 5.49
CHEMBL71366 1 5.42
CHEMBL74180 1 5.37
CHEMBL70515 1 5.35
CHEMBL72608 1 5.33
CHEMBL70995 1 5.17
CHEMBL71952 1 5.16
CHEMBL306305 1 5.08
CHEMBL70427 1 5.08
CHEMBL68806 1 5.08
CHEMBL308586 1 5.02
CHEMBL74229 1 5.00
CHEMBL72049 1 4.99
CHEMBL70289 1 4.88
CHEMBL71177 1 4.85
CHEMBL309008 1 4.78
CHEMBL302821 1 4.67
CHEMBL68969 1 4.61

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL434209 IC50 = 40.0 nM 7.40
CHEMBL74059 IC50 = 150.0 nM 6.82
CHEMBL40321 IC50 = 250.0 nM 6.60
CHEMBL225071 RALTITREXED IC50 = 670.0 nM 6.17
CHEMBL307949 IC50 = 720.0 nM 6.14
CHEMBL69232 IC50 = 1070.0 nM 5.97
CHEMBL74064 IC50 = 2620.0 nM 5.58
CHEMBL71035 IC50 = 3270.0 nM 5.49
CHEMBL71366 IC50 = 3820.0 nM 5.42
CHEMBL74180 IC50 = 4300.0 nM 5.37
CHEMBL70515 IC50 = 4500.0 nM 5.35
CHEMBL72608 IC50 = 4660.0 nM 5.33
CHEMBL70995 IC50 = 6730.0 nM 5.17
CHEMBL71952 IC50 = 6980.0 nM 5.16
CHEMBL306305 IC50 = 8270.0 nM 5.08
CHEMBL70427 IC50 = 8280.0 nM 5.08
CHEMBL68806 IC50 = 8420.0 nM 5.08
CHEMBL308586 IC50 = 9520.0 nM 5.02
CHEMBL74229 IC50 = 9900.0 nM 5.00
CHEMBL72049 IC50 = 10300.0 nM 4.99
CHEMBL70289 IC50 = 13280.0 nM 4.88
CHEMBL71177 IC50 = 14120.0 nM 4.85
CHEMBL309008 IC50 = 16660.0 nM 4.78
CHEMBL302821 IC50 = 21480.0 nM 4.67
CHEMBL68969 IC50 = 24800.0 nM 4.61