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Assay Detail

CHEMBL5442183

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

Binding
PDSP Secondary Binding target: SLC6A2 - Compounds are tested at 10 uM concentration, plate are incubated at room temperature in the dark for 90 minutes. Reaction are stopped by vacuum filtration onto 0.3% polyethyleneimine soaked filter mats using Filtermate harvester. Scintillation cocktail is then melted onto microwave-dried filters on a hot plate and the radio activity is counted in Microbia counter. Compounds showing a minimum of 50% inhibition at 10 uM concentration are carried forward in this secondary binding assay to determine equilibrium binding affinity.
43
Total Activities
43
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

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

Publication

EUbOPEN Chemogenomics Library - PDSP Secondary Binding
EUbOPEN
(2024)
· DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 43 5.88 7.81

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1615374 VILAZODONE HYDROCHLORIDE 4.0 1 7.81
CHEMBL1489369 1 7.02
CHEMBL5076314 1 6.92
CHEMBL3545036 RASEGLURANT 2.0 1 6.46
CHEMBL1263 SALMETEROL 4.0 1 6.42
CHEMBL1095777 INDACATEROL 4.0 1 6.25
CHEMBL103769 1 6.21
CHEMBL5089005 1 6.18
CHEMBL267777 RITANSERIN 2.0 1 6.16
CHEMBL2105760 BREXPIPRAZOLE 4.0 1 6.16
CHEMBL1200492 NEFAZODONE HYDROCHLORIDE 4.0 1 6.14
CHEMBL543113 1 6.11
CHEMBL405355 NIGULDIPINE 2.0 1 6.07
CHEMBL1474387 1 6.02
CHEMBL1256876 1 6.02
CHEMBL567303 PALOSURAN 2.0 1 5.96
CHEMBL5075931 1 5.90
CHEMBL1200776 CINACALCET HYDROCHLORIDE 4.0 1 5.84
CHEMBL445102 1 5.83
CHEMBL540612 1 5.78
CHEMBL281350 SB-224289 1 5.76
CHEMBL4743495 1 5.73
CHEMBL4164059 PITOLISANT HYDROCHLORIDE 4.0 1 5.72
CHEMBL2107572 TECALCET HYDROCHLORIDE 2.0 1 5.71
CHEMBL259656 1 5.60
CHEMBL1215661 PRUVANSERIN 2.0 1 5.60
CHEMBL1376064 1 5.59
CHEMBL1256863 1 5.58
CHEMBL300555 SPIROXATRINE 2.0 1 5.58
CHEMBL59898 1 5.54

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1615374 VILAZODONE HYDROCHLORIDE Ki = 15.48 nM 7.81
CHEMBL1489369 Ki = 96.28 nM 7.02
CHEMBL5076314 Ki = 119.74 nM 6.92
CHEMBL3545036 RASEGLURANT Ki = 344.55 nM 6.46
CHEMBL1263 SALMETEROL Ki = 381.86 nM 6.42
CHEMBL1095777 INDACATEROL Ki = 568.66 nM 6.25
CHEMBL103769 Ki = 618.45 nM 6.21
CHEMBL5089005 Ki = 664.12 nM 6.18
CHEMBL267777 RITANSERIN Ki = 685.41 nM 6.16
CHEMBL2105760 BREXPIPRAZOLE Ki = 689.21 nM 6.16
CHEMBL1200492 NEFAZODONE HYDROCHLORIDE Ki = 730.55 nM 6.14
CHEMBL543113 Ki = 768.78 nM 6.11
CHEMBL405355 NIGULDIPINE Ki = 857.24 nM 6.07
CHEMBL1474387 Ki = 955.76 nM 6.02
CHEMBL1256876 Ki = 951.15 nM 6.02
CHEMBL567303 PALOSURAN Ki = 1087.42 nM 5.96
CHEMBL5075931 Ki = 1257.91 nM 5.90
CHEMBL1200776 CINACALCET HYDROCHLORIDE Ki = 1451.11 nM 5.84
CHEMBL445102 Ki = 1474.18 nM 5.83
CHEMBL540612 Ki = 1672.83 nM 5.78
CHEMBL281350 SB-224289 Ki = 1729.62 nM 5.76
CHEMBL4743495 Ki = 1851.4 nM 5.73
CHEMBL4164059 PITOLISANT HYDROCHLORIDE Ki = 1919.11 nM 5.72
CHEMBL2107572 TECALCET HYDROCHLORIDE Ki = 1926.42 nM 5.71
CHEMBL259656 Ki = 2537.76 nM 5.60
CHEMBL1215661 PRUVANSERIN Ki = 2517.97 nM 5.60
CHEMBL1376064 Ki = 2583.75 nM 5.59
CHEMBL1256863 Ki = 2646.67 nM 5.58
CHEMBL300555 SPIROXATRINE Ki = 2610.05 nM 5.58
CHEMBL59898 Ki = 2850.37 nM 5.54
CHEMBL21283 Ki = 3223.29 nM 5.49
CHEMBL2106195 DEXMEDETOMIDINE HYDROCHLORIDE Ki = 3261.37 nM 5.49
CHEMBL23327 PURVALANOLA Ki = 4399.46 nM 5.36
CHEMBL2103873 MACITENTAN Ki = 4831.14 nM 5.32
CHEMBL542139 Ki = 5615.65 nM 5.25
CHEMBL1766103 Ki = 5806.31 nM 5.24
CHEMBL7353 Ki = 6905.57 nM 5.16
CHEMBL143210 Ki = 7552.66 nM 5.12
CHEMBL2181226 Ki = 7741.05 nM 5.11
CHEMBL403225 Ki > 10000.0 nM -
CHEMBL502882 Ki > 10000.0 nM -
CHEMBL2057618 Ki > 10000.0 nM -
CHEMBL83894 FANANSERIN Ki > 10000.0 nM -