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Assay Detail

CHEMBL804695

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

Binding
Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERT
18
Total Activities
18
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Expert

Target

Sodium-dependent serotonin transporter (CHEMBL228)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Synthesis of a potent wide-spectrum serotonin-, norepinephrine-, dopamine-reuptake inhibitor (SNDRI) and a species-selective dopamine-reuptake inhibitor based on the gamma-amino alcohol functional group.
Carlier PR, Lo MM, Lo PC, Richelson E, Tatsumi M, Reynolds IJ, Sharma TA.
Bioorg Med Chem Lett (1998) 8 : 487 -492
PubMed 9871604 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 18 7.68 9.89

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL490 PAROXETINE 4.0 1 9.89
CHEMBL809 SERTRALINE 4.0 1 9.54
CHEMBL41 FLUOXETINE 4.0 1 9.09
CHEMBL543925 1 8.92
CHEMBL539050 1 8.25
CHEMBL545557 1 8.21
CHEMBL539564 1 8.21
CHEMBL544633 1 8.07
CHEMBL641 ATOMOXETINE 4.0 1 8.05
CHEMBL637 VENLAFAXINE 4.0 1 8.05
CHEMBL538053 1 7.52
CHEMBL542501 1 7.40
CHEMBL540333 1 7.12
CHEMBL539054 1 6.93
CHEMBL623 NEFAZODONE 4.0 1 6.70
CHEMBL555280 1 5.96
CHEMBL542746 1 5.52
CHEMBL306700 VILOXAZINE 4.0 1 4.76

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL490 PAROXETINE Kd = 0.13 nM 9.89
CHEMBL809 SERTRALINE Kd = 0.29 nM 9.54
CHEMBL41 FLUOXETINE Kd = 0.81 nM 9.09
CHEMBL543925 Kd = 1.2 nM 8.92
CHEMBL539050 Kd = 5.59 nM 8.25
CHEMBL545557 Kd = 6.1 nM 8.21
CHEMBL539564 Kd = 6.2 nM 8.21
CHEMBL544633 Kd = 8.5 nM 8.07
CHEMBL641 ATOMOXETINE Kd = 8.9 nM 8.05
CHEMBL637 VENLAFAXINE Kd = 8.9 nM 8.05
CHEMBL538053 Kd = 30.0 nM 7.52
CHEMBL542501 Kd = 40.0 nM 7.40
CHEMBL540333 Kd = 76.0 nM 7.12
CHEMBL539054 Kd = 118.0 nM 6.93
CHEMBL623 NEFAZODONE Kd = 200.0 nM 6.70
CHEMBL555280 Kd = 1100.0 nM 5.96
CHEMBL542746 Kd = 3050.0 nM 5.52
CHEMBL306700 VILOXAZINE Kd = 17300.0 nM 4.76