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Assay Detail

CHEMBL820617

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Binding
Inhibition of isolated thymidylate synthase partially purified from L1210 mouse leukemia cells
38
Total Activities
38
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Cell Type L1210
Confidence 8 — Homologous single protein target
Curated By Expert

Target

Thymidylate synthase (CHEMBL3160)
Type SINGLE PROTEIN
Organism Mus musculus

Publication

Design and synthesis of potent non-polyglutamatable quinazoline antifolate thymidylate synthase inhibitors.
Marsham PR, Wardleworth JM, Boyle FT, Hennequin LF, Kimbell R, Brown M, Jackman AL.
J Med Chem (1999) 42 : 3809 -3820
PubMed 10508430 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 38 8.34 9.28

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL337914 1 9.28
CHEMBL420155 1 9.22
CHEMBL338429 1 9.21
CHEMBL105346 1 9.07
CHEMBL126325 1 8.85
CHEMBL126648 PLEVITREXED 2.0 1 8.85
CHEMBL439975 1 8.85
CHEMBL341334 1 8.80
CHEMBL127583 1 8.79
CHEMBL126555 1 8.74
CHEMBL340888 1 8.72
CHEMBL338598 1 8.70
CHEMBL340814 1 8.70
CHEMBL127598 1 8.66
CHEMBL127954 1 8.62
CHEMBL125856 1 8.62
CHEMBL340842 1 8.49
CHEMBL127142 1 8.49
CHEMBL338644 1 8.47
CHEMBL127541 1 8.36
CHEMBL123614 1 8.28
CHEMBL126914 1 8.27
CHEMBL127745 1 8.27
CHEMBL127333 1 8.25
CHEMBL341323 1 8.24
CHEMBL126541 1 8.17
CHEMBL341262 1 8.14
CHEMBL126242 1 8.05
CHEMBL128033 1 8.05
CHEMBL441086 1 7.89

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL337914 IC50 = 0.52 nM 9.28
CHEMBL420155 IC50 = 0.6 nM 9.22
CHEMBL338429 IC50 = 0.62 nM 9.21
CHEMBL105346 IC50 = 0.86 nM 9.07
CHEMBL126325 IC50 = 1.4 nM 8.85
CHEMBL126648 PLEVITREXED IC50 = 1.4 nM 8.85
CHEMBL439975 IC50 = 1.4 nM 8.85
CHEMBL341334 IC50 = 1.6 nM 8.80
CHEMBL127583 IC50 = 1.62 nM 8.79
CHEMBL126555 IC50 = 1.8 nM 8.74
CHEMBL340888 IC50 = 1.9 nM 8.72
CHEMBL338598 IC50 = 2.0 nM 8.70
CHEMBL340814 IC50 = 2.0 nM 8.70
CHEMBL127598 IC50 = 2.2 nM 8.66
CHEMBL125856 IC50 = 2.4 nM 8.62
CHEMBL127954 IC50 = 2.4 nM 8.62
CHEMBL340842 IC50 = 3.2 nM 8.49
CHEMBL127142 IC50 = 3.2 nM 8.49
CHEMBL338644 IC50 = 3.4 nM 8.47
CHEMBL127541 IC50 = 4.4 nM 8.36
CHEMBL123614 IC50 = 5.2 nM 8.28
CHEMBL126914 IC50 = 5.4 nM 8.27
CHEMBL127745 IC50 = 5.4 nM 8.27
CHEMBL127333 IC50 = 5.6 nM 8.25
CHEMBL341323 IC50 = 5.8 nM 8.24
CHEMBL126541 IC50 = 6.8 nM 8.17
CHEMBL341262 IC50 = 7.2 nM 8.14
CHEMBL126242 IC50 = 9.0 nM 8.05
CHEMBL128033 IC50 = 9.0 nM 8.05
CHEMBL441086 IC50 = 13.0 nM 7.89
CHEMBL340635 IC50 = 13.4 nM 7.87
CHEMBL126697 IC50 = 14.2 nM 7.85
CHEMBL125971 IC50 = 15.0 nM 7.82
CHEMBL339022 IC50 = 15.4 nM 7.81
CHEMBL389051 IC50 = 20.0 nM 7.70
CHEMBL434209 IC50 = 40.0 nM 7.40
CHEMBL127175 IC50 = 64.0 nM 7.19
CHEMBL225071 RALTITREXED IC50 = 670.0 nM 6.17