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Assay Detail

CHEMBL1120740

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
30
Total Activities
30
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 reuptake inhibitors: 4-[3-aryl-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl]-1-(methylamino)butan-2-ols (WYE-103231).
O'Neill DJ, Adedoyin A, Alfinito PD, Bray JA, Cosmi S, Deecher DC, Fensome A, Harrison J, Leventhal L, Mann C, McComas CC, Sullivan NR, Spangler TB, Uveges AJ, Trybulski EJ, Whiteside GT, Zhang P.
J Med Chem (2010) 53 : 4511 -4521
PubMed 20462211 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 29 7.80 8.96
Ki 1 8.68 8.68

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1085831 1 8.96
CHEMBL1083429 1 8.70
CHEMBL1083392 1 8.70
CHEMBL1083083 1 8.70
CHEMBL1084042 1 8.70
CHEMBL1083409 1 8.70
CHEMBL1083118 1 8.70
CHEMBL72 DESIPRAMINE 4.0 1 8.68
CHEMBL1085338 1 8.57
CHEMBL1083410 1 8.40
CHEMBL1085339 1 8.30
CHEMBL1082458 1 8.22
CHEMBL1083428 1 8.22
CHEMBL1086035 1 8.10
CHEMBL1083408 1 8.05
CHEMBL1085323 1 7.72
CHEMBL1084312 1 7.72
CHEMBL1085066 1 7.66
CHEMBL1084313 1 7.47
CHEMBL1082611 1 7.44
CHEMBL1082459 1 7.32
CHEMBL1084829 1 7.29
CHEMBL1085233 1 7.24
CHEMBL1085322 1 7.10
CHEMBL1085830 1 7.03
CHEMBL1084311 1 6.96
CHEMBL1082292 1 6.81
CHEMBL1084828 1 6.61
CHEMBL1083430 1 6.56
CHEMBL1083741 1 6.36

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1085831 IC50 = 1.1 nM 8.96
CHEMBL1083429 IC50 = 2.0 nM 8.70
CHEMBL1083392 IC50 = 2.0 nM 8.70
CHEMBL1083083 IC50 = 2.0 nM 8.70
CHEMBL1084042 IC50 = 2.0 nM 8.70
CHEMBL1083409 IC50 = 2.0 nM 8.70
CHEMBL1083118 IC50 = 2.0 nM 8.70
CHEMBL72 DESIPRAMINE Ki = 2.1 nM 8.68
CHEMBL1085338 IC50 = 2.7 nM 8.57
CHEMBL1083410 IC50 = 4.0 nM 8.40
CHEMBL1085339 IC50 = 5.0 nM 8.30
CHEMBL1082458 IC50 = 6.0 nM 8.22
CHEMBL1083428 IC50 = 6.0 nM 8.22
CHEMBL1086035 IC50 = 8.0 nM 8.10
CHEMBL1083408 IC50 = 9.0 nM 8.05
CHEMBL1085323 IC50 = 19.0 nM 7.72
CHEMBL1084312 IC50 = 19.0 nM 7.72
CHEMBL1085066 IC50 = 22.0 nM 7.66
CHEMBL1084313 IC50 = 34.0 nM 7.47
CHEMBL1082611 IC50 = 36.0 nM 7.44
CHEMBL1082459 IC50 = 48.0 nM 7.32
CHEMBL1084829 IC50 = 51.0 nM 7.29
CHEMBL1085233 IC50 = 57.0 nM 7.24
CHEMBL1085322 IC50 = 80.0 nM 7.10
CHEMBL1085830 IC50 = 94.0 nM 7.03
CHEMBL1084311 IC50 = 109.0 nM 6.96
CHEMBL1082292 IC50 = 155.0 nM 6.81
CHEMBL1084828 IC50 = 244.0 nM 6.61
CHEMBL1083430 IC50 = 277.0 nM 6.56
CHEMBL1083741 IC50 = 441.0 nM 6.36