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Assay Detail

CHEMBL5732363

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

Binding
Inhibition Assay: The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type and OCT2-transfected MDCKII cells at 7 concentrations from 0.014 μM to 10 μM.MDCKII cells were maintained in minimal essential medium (MEM) with 1% Pen/Strep, 10% fetal bovine serum, and 0.25 mg/mL hygromycin B in an incubator set at 37° C., 90% humidity and 5% CO2. 24 hours prior to assay, media containing 5 mM sodium butyrate were added to MDCKII cells in flasks, and cells were grown to 80-90% confluence. On assay day, cells were trypsinized and resuspended in Krebs-Henseleit Buffer (KHB), pH 7.4 at 5×106 million cells/mL. Cells were preincubated for 15 min in assay plate before addition of test compound or substrate.
69
Total Activities
21
Compounds Tested
3
Activity Types
0
Assay Parameters

Assay Information

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

Target

Solute carrier family 22 member 2 (CHEMBL1743122)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Substituted 1,2,3,4,6,8,12,12a-octahydro-1,4-methanodipyrido[1,2-a:1',2'-d]pyrazines and methods for treating viral infections
(2017)

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 23 5.96 7.38
kon 23 - -
k_off 23 - -

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5864617 3 7.38
CHEMBL5870848 3 7.03
CHEMBL6000266 3 6.86
CHEMBL6049097 6 6.69
CHEMBL5819083 3 6.62
CHEMBL6066002 3 6.60
CHEMBL5843001 3 6.35
CHEMBL5792941 6 6.32
CHEMBL3989866 BICTEGRAVIR 4.0 3 6.31
CHEMBL5882513 3 6.21
CHEMBL5916318 3 5.82
CHEMBL5827479 3 5.65
CHEMBL5932213 3 5.55
CHEMBL5758649 3 5.43
CHEMBL6003192 3 5.42
CHEMBL5777750 3 5.31
CHEMBL5883252 3 5.21
CHEMBL5998444 3 5.00
CHEMBL5991232 3 5.00
CHEMBL5960223 3 5.00
CHEMBL5817410 3 5.00

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5864617 IC50 = 42.0 nM 7.38
CHEMBL5870848 IC50 = 94.0 nM 7.03
CHEMBL6000266 IC50 = 137.0 nM 6.86
CHEMBL6049097 IC50 = 204.0 nM 6.69
CHEMBL5819083 IC50 = 240.0 nM 6.62
CHEMBL6066002 IC50 = 250.0 nM 6.60
CHEMBL6049097 IC50 = 358.0 nM 6.45
CHEMBL5843001 IC50 = 450.0 nM 6.35
CHEMBL5792941 IC50 = 476.0 nM 6.32
CHEMBL3989866 BICTEGRAVIR IC50 = 487.0 nM 6.31
CHEMBL5882513 IC50 = 610.0 nM 6.21
CHEMBL5792941 IC50 = 1357.0 nM 5.87
CHEMBL5916318 IC50 = 1506.0 nM 5.82
CHEMBL5827479 IC50 = 2230.0 nM 5.65
CHEMBL5932213 IC50 = 2823.0 nM 5.55
CHEMBL5758649 IC50 = 3726.0 nM 5.43
CHEMBL6003192 IC50 = 3830.0 nM 5.42
CHEMBL5777750 IC50 = 4909.0 nM 5.31
CHEMBL5883252 IC50 = 6200.0 nM 5.21
CHEMBL5817410 IC50 = 10000.0 nM 5.00
CHEMBL5960223 IC50 = 10000.0 nM 5.00
CHEMBL5998444 IC50 = 10000.0 nM 5.00
CHEMBL5991232 IC50 = 10000.0 nM 5.00
CHEMBL5792941 k_off = - s-1 -
CHEMBL5758649 kon = - -
CHEMBL5758649 k_off = - s-1 -
CHEMBL5916318 kon = - -
CHEMBL5916318 k_off = - s-1 -
CHEMBL6049097 k_off = - s-1 -
CHEMBL5819083 kon = - -
CHEMBL5819083 k_off = - s-1 -
CHEMBL6066002 kon = - -
CHEMBL6066002 k_off = - s-1 -
CHEMBL5827479 kon = - -
CHEMBL5827479 k_off = - s-1 -
CHEMBL5991232 kon = - -
CHEMBL5792941 kon = - -
CHEMBL5817410 k_off = - s-1 -
CHEMBL5817410 kon = - -
CHEMBL5883252 kon = - -
CHEMBL5960223 kon = - -
CHEMBL6003192 k_off = - s-1 -
CHEMBL6003192 kon = - -
CHEMBL5843001 k_off = - s-1 -
CHEMBL5843001 kon = - -
CHEMBL5870848 k_off = - s-1 -
CHEMBL5960223 k_off = - s-1 -
CHEMBL5864617 kon = - -
CHEMBL5864617 k_off = - s-1 -
CHEMBL5870848 kon = - -