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Assay Detail

CHEMBL677013

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

Functional
Inhibition of cellular growth in human adenocarcinoma cell line (GC3/M TK) deficient in thymidine kinase
22
Total Activities
22
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Functional
Organism Homo sapiens
Cell Type GC3/MTK-
Confidence 1 — Organism
Curated By Expert

Target

GC3/MTK- (CHEMBL614157)
Type CELL-LINE
Organism Homo sapiens

Publication

Design of thymidylate synthase inhibitors using protein crystal structures: the synthesis and biological evaluation of a novel class of 5-substituted quinazolinones.
Webber SE, Bleckman TM, Attard J, Deal JG, Kathardekar V, Welsh KM, Webber S, Janson CA, Matthews DA, Smith WW.
J Med Chem (1993) 36 : 733 -746
PubMed 8459400 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 22 5.32 6.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL320775 NOLATREXED 3.0 1 6.00
CHEMBL349723 1 5.82
CHEMBL166027 1 5.77
CHEMBL162145 1 5.69
CHEMBL166369 1 5.39
CHEMBL423282 1 5.35
CHEMBL350130 1 5.30
CHEMBL351606 1 5.28
CHEMBL351403 1 5.22
CHEMBL163410 1 4.82
CHEMBL349969 1 4.75
CHEMBL164289 1 4.50
CHEMBL351839 1 -
CHEMBL351885 1 -
CHEMBL163411 1 -
CHEMBL164624 1 -
CHEMBL351840 1 -
CHEMBL162498 1 -
CHEMBL164569 1 -
CHEMBL163096 1 -
CHEMBL162613 1 -
CHEMBL165453 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL320775 NOLATREXED IC50 = 1000.0 nM 6.00
CHEMBL349723 IC50 = 1500.0 nM 5.82
CHEMBL166027 IC50 = 1700.0 nM 5.77
CHEMBL162145 IC50 = 2050.0 nM 5.69
CHEMBL166369 IC50 = 4100.0 nM 5.39
CHEMBL423282 IC50 = 4500.0 nM 5.35
CHEMBL350130 IC50 = 5000.0 nM 5.30
CHEMBL351606 IC50 = 5200.0 nM 5.28
CHEMBL351403 IC50 = 6000.0 nM 5.22
CHEMBL163410 IC50 = 15000.0 nM 4.82
CHEMBL349969 IC50 = 18000.0 nM 4.75
CHEMBL164289 IC50 = 32000.0 nM 4.50
CHEMBL351839 IC50 > 50000.0 nM -
CHEMBL351885 IC50 > 2000.0 nM -
CHEMBL163411 IC50 > 5000.0 nM -
CHEMBL164624 IC50 > 12500.0 nM -
CHEMBL351840 IC50 > 10000.0 nM -
CHEMBL162498 IC50 > 2500.0 nM -
CHEMBL164569 IC50 > 50000.0 nM -
CHEMBL163096 IC50 > 26900.0 nM -
CHEMBL162613 IC50 > 4000.0 nM -
CHEMBL165453 IC50 > 50000.0 nM -