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Assay Detail

CHEMBL1831836

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

Binding
Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells
22
Total Activities
22
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type MDCK-Net6
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Sodium-dependent noradrenaline transporter (CHEMBL222)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of novel selective norepinephrine inhibitors: 1-(2-morpholin-2-ylethyl)-3-aryl-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxides (WYE-114152).
O'Neill DJ, Adedoyin A, Bray JA, Deecher DC, Fensome A, Goldberg JA, Harrison J, Leventhal L, Mann C, Mark L, Nogle L, Sullivan NR, Spangler TB, Terefenko EA, Trybulski EJ, Uveges AJ, Vu A, Whiteside GT, Zhang P.
J Med Chem (2011) 54 : 6824 -6831
PubMed 21916421 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 21 7.54 8.70
Ki 1 8.68 8.68

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1082458 1 8.70
CHEMBL72 DESIPRAMINE 4.0 1 8.68
CHEMBL1828653 1 8.30
CHEMBL1830885 1 8.30
CHEMBL1830879 1 8.30
CHEMBL1830877 1 8.15
CHEMBL1830890 1 8.10
CHEMBL1830878 1 8.05
CHEMBL1083410 1 8.05
CHEMBL1830892 1 7.89
CHEMBL1830876 1 7.89
CHEMBL1830884 1 7.52
CHEMBL1830880 1 7.13
CHEMBL1830889 1 7.10
CHEMBL1830886 1 7.00
CHEMBL1830875 1 6.99
CHEMBL1830888 1 6.84
CHEMBL1830891 1 6.68
CHEMBL1830887 1 6.55
CHEMBL1830883 1 5.64
CHEMBL1830881 1 -
CHEMBL1830882 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1082458 IC50 = 2.0 nM 8.70
CHEMBL72 DESIPRAMINE Ki = 2.1 nM 8.68
CHEMBL1828653 IC50 = 5.0 nM 8.30
CHEMBL1830885 IC50 = 5.0 nM 8.30
CHEMBL1830879 IC50 = 5.0 nM 8.30
CHEMBL1830877 IC50 = 7.0 nM 8.15
CHEMBL1830890 IC50 = 8.0 nM 8.10
CHEMBL1830878 IC50 = 9.0 nM 8.05
CHEMBL1083410 IC50 = 9.0 nM 8.05
CHEMBL1830892 IC50 = 13.0 nM 7.89
CHEMBL1830876 IC50 = 13.0 nM 7.89
CHEMBL1830884 IC50 = 30.0 nM 7.52
CHEMBL1830880 IC50 = 74.0 nM 7.13
CHEMBL1830889 IC50 = 80.0 nM 7.10
CHEMBL1830886 IC50 = 99.0 nM 7.00
CHEMBL1830875 IC50 = 103.0 nM 6.99
CHEMBL1830888 IC50 = 143.0 nM 6.84
CHEMBL1830891 IC50 = 209.0 nM 6.68
CHEMBL1830887 IC50 = 283.0 nM 6.55
CHEMBL1830883 IC50 = 2304.0 nM 5.64
CHEMBL1830881 IC50 - -
CHEMBL1830882 IC50 - -