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Assay Detail

CHEMBL815566

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Binding
Inhibitory effect against recombinant human thymidylate synthase
15
Total Activities
15
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 (CHEMBL1952)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Synthesis and biological evaluation of novel 2,6-diaminobenz[cd]indole inhibitors of thymidylate synthase using the protein structure as a guide.
Varney MD, Palmer CL, Deal JG, Webber S, Welsh KM, Bartlett CA, Morse CA, Smith WW, Janson CA.
J Med Chem (1995) 38 : 1892 -1903
PubMed 7783121 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 15 7.62 8.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL55263 1 8.40
CHEMBL56523 1 8.22
CHEMBL57420 1 8.00
CHEMBL59203 1 7.85
CHEMBL434980 1 7.85
CHEMBL9440 METESIND 2.0 1 7.82
CHEMBL293823 1 7.82
CHEMBL55884 1 7.77
CHEMBL294871 1 7.75
CHEMBL56611 1 7.60
CHEMBL293810 1 7.52
CHEMBL301218 1 7.35
CHEMBL56637 1 7.28
CHEMBL55361 1 6.57
CHEMBL417763 1 6.51

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL55263 Ki = 4.0 nM 8.40
CHEMBL56523 Ki = 6.0 nM 8.22
CHEMBL57420 Ki = 10.0 nM 8.00
CHEMBL59203 Ki = 14.0 nM 7.85
CHEMBL434980 Ki = 14.0 nM 7.85
CHEMBL9440 METESIND Ki = 15.0 nM 7.82
CHEMBL293823 Ki = 15.0 nM 7.82
CHEMBL55884 Ki = 17.0 nM 7.77
CHEMBL294871 Ki = 18.0 nM 7.75
CHEMBL56611 Ki = 25.0 nM 7.60
CHEMBL293810 Ki = 30.0 nM 7.52
CHEMBL301218 Ki = 45.0 nM 7.35
CHEMBL56637 Ki = 52.0 nM 7.28
CHEMBL55361 Ki = 270.0 nM 6.57
CHEMBL417763 Ki = 310.0 nM 6.51