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Assay Detail

CHEMBL839949

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Binding
Inhibitory constant against neuraminidase Influenza A virus A/N2/Tokyo strain
16
Total Activities
15
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Influenza A virus
Confidence 8 — Homologous single protein target
Curated By Expert

Target

Neuraminidase (CHEMBL2051)
Type SINGLE PROTEIN
Organism Influenza A virus (A/Puerto Rico/8/1934(H1N1))

Publication

Structure-based characterization and optimization of novel hydrophobic binding interactions in a series of pyrrolidine influenza neuraminidase inhibitors.
Maring CJ, Stoll VS, Zhao C, Sun M, Krueger AC, Stewart KD, Madigan DL, Kati WM, Xu Y, Carrick RJ, Montgomery DA, Kempf-Grote A, Marsh KC, Molla A, Steffy KR, Sham HL, Laver WG, Gu YG, Kempf DJ, Kohlbrenner WE.
J Med Chem (2005) 48 : 3980 -3990
PubMed 15943472 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 16 6.66 7.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL370047 1 7.70
CHEMBL369125 2 7.43
CHEMBL362993 1 7.35
CHEMBL195156 1 7.12
CHEMBL424821 1 6.82
CHEMBL365976 1 6.57
CHEMBL190819 1 6.57
CHEMBL366026 1 6.52
CHEMBL373336 1 6.51
CHEMBL426810 1 6.46
CHEMBL195288 1 6.46
CHEMBL191512 1 6.41
CHEMBL382322 1 6.38
CHEMBL195871 1 6.21
CHEMBL192279 1 5.52

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL370047 Ki = 20.0 nM 7.70
CHEMBL369125 Ki = 37.0 nM 7.43
CHEMBL362993 Ki = 45.0 nM 7.35
CHEMBL195156 Ki = 76.0 nM 7.12
CHEMBL424821 Ki = 150.0 nM 6.82
CHEMBL369125 Ki = 260.0 nM 6.58
CHEMBL365976 Ki = 270.0 nM 6.57
CHEMBL190819 Ki = 270.0 nM 6.57
CHEMBL366026 Ki = 300.0 nM 6.52
CHEMBL373336 Ki = 310.0 nM 6.51
CHEMBL426810 Ki = 350.0 nM 6.46
CHEMBL195288 Ki = 350.0 nM 6.46
CHEMBL191512 Ki = 390.0 nM 6.41
CHEMBL382322 Ki = 420.0 nM 6.38
CHEMBL195871 Ki = 610.0 nM 6.21
CHEMBL192279 Ki = 3000.0 nM 5.52