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Assay Detail

CHEMBL1044082

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

Binding
Inhibition of human NET expressed in MDCK-Net6 cells
33
Total Activities
33
Compounds Tested
1
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 Intermediate

Target

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

Publication

Structure-activity relationships of the 1-amino-3-(1H-indol-1-yl)-3-phenylpropan-2-ol series of monoamine reuptake inhibitors.
Mahaney PE, Kim CY, Coghlan RD, Cohn ST, Heffernan GD, Huselton CA, Terefenko EA, Vu AT, Zhang P, Burroughs KD, Cosmi SA, Bray JA, Johnston GH, Deecher DC, Trybulski EJ.
Bioorg Med Chem Lett (2009) 19 : 5807 -5810
PubMed 19713106 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 33 7.43 8.47

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL72 DESIPRAMINE 4.0 1 8.47
CHEMBL576145 1 8.40
CHEMBL575132 1 8.15
CHEMBL576758 1 8.00
CHEMBL576170 1 7.96
CHEMBL574920 1 7.85
CHEMBL574921 1 7.82
CHEMBL575535 1 7.80
CHEMBL566090 1 7.80
CHEMBL583411 1 7.75
CHEMBL575546 1 7.70
CHEMBL572927 1 7.68
CHEMBL579244 1 7.68
CHEMBL572951 1 7.68
CHEMBL577597 1 7.66
CHEMBL562476 1 7.55
CHEMBL573667 1 7.47
CHEMBL577825 1 7.31
CHEMBL575133 1 7.28
CHEMBL577138 1 7.27
CHEMBL566958 1 7.22
CHEMBL572917 1 7.22
CHEMBL584152 1 7.19
CHEMBL575131 1 7.08
CHEMBL575753 1 7.04
CHEMBL577598 1 7.04
CHEMBL576542 1 7.04
CHEMBL582894 1 6.96
CHEMBL566957 1 6.93
CHEMBL577565 1 6.91

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL72 DESIPRAMINE IC50 = 3.4 nM 8.47
CHEMBL576145 IC50 = 4.0 nM 8.40
CHEMBL575132 IC50 = 7.0 nM 8.15
CHEMBL576758 IC50 = 10.0 nM 8.00
CHEMBL576170 IC50 = 11.0 nM 7.96
CHEMBL574920 IC50 = 14.0 nM 7.85
CHEMBL574921 IC50 = 15.0 nM 7.82
CHEMBL575535 IC50 = 16.0 nM 7.80
CHEMBL566090 IC50 = 16.0 nM 7.80
CHEMBL583411 IC50 = 18.0 nM 7.75
CHEMBL575546 IC50 = 20.0 nM 7.70
CHEMBL572927 IC50 = 21.0 nM 7.68
CHEMBL579244 IC50 = 21.0 nM 7.68
CHEMBL572951 IC50 = 21.0 nM 7.68
CHEMBL577597 IC50 = 22.0 nM 7.66
CHEMBL562476 IC50 = 28.0 nM 7.55
CHEMBL573667 IC50 = 34.0 nM 7.47
CHEMBL577825 IC50 = 49.0 nM 7.31
CHEMBL575133 IC50 = 52.0 nM 7.28
CHEMBL577138 IC50 = 54.0 nM 7.27
CHEMBL566958 IC50 = 60.0 nM 7.22
CHEMBL572917 IC50 = 60.0 nM 7.22
CHEMBL584152 IC50 = 64.0 nM 7.19
CHEMBL575131 IC50 = 84.0 nM 7.08
CHEMBL575753 IC50 = 92.0 nM 7.04
CHEMBL577598 IC50 = 92.0 nM 7.04
CHEMBL576542 IC50 = 91.0 nM 7.04
CHEMBL582894 IC50 = 111.0 nM 6.96
CHEMBL566957 IC50 = 117.0 nM 6.93
CHEMBL577565 IC50 = 124.0 nM 6.91
CHEMBL578841 IC50 = 232.0 nM 6.63
CHEMBL583113 IC50 = 304.0 nM 6.52
CHEMBL577612 IC50 = 527.0 nM 6.28