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Assay Detail

CHEMBL5442191

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

Binding
PDSP Secondary Binding target: SLC6A4 - 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.
31
Total Activities
31
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 serotonin transporter (CHEMBL228)
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 31 6.31 9.33

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1615374 VILAZODONE HYDROCHLORIDE 4.0 1 9.33
CHEMBL1489369 1 7.76
CHEMBL445102 1 7.53
CHEMBL2105760 BREXPIPRAZOLE 4.0 1 7.18
CHEMBL1200492 NEFAZODONE HYDROCHLORIDE 4.0 1 6.76
CHEMBL103769 1 6.68
CHEMBL79834 SPIRAMIDE 2.0 1 6.68
CHEMBL1263 SALMETEROL 4.0 1 6.53
CHEMBL540612 1 6.52
CHEMBL1707 LOPERAMIDE HYDROCHLORIDE 4.0 1 6.29
CHEMBL267777 RITANSERIN 2.0 1 6.25
CHEMBL1095777 INDACATEROL 4.0 1 6.11
CHEMBL1200776 CINACALCET HYDROCHLORIDE 4.0 1 6.11
CHEMBL5089005 1 6.08
CHEMBL405355 NIGULDIPINE 2.0 1 6.06
CHEMBL567303 PALOSURAN 2.0 1 6.00
CHEMBL83894 FANANSERIN 2.0 1 5.96
CHEMBL1215661 PRUVANSERIN 2.0 1 5.96
CHEMBL5076314 1 5.94
CHEMBL2057618 1 5.61
CHEMBL2024517 CARIPRAZINE HYDROCHLORIDE 4.0 1 5.51
CHEMBL1376064 1 5.39
CHEMBL34730 1 5.36
CHEMBL143210 1 5.12
CHEMBL7353 1 5.11
CHEMBL1256844 1 -
CHEMBL2103873 MACITENTAN 4.0 1 -
CHEMBL2062257 1 -
CHEMBL679 EPINEPHRINE 4.0 1 -
CHEMBL214957 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1615374 VILAZODONE HYDROCHLORIDE Ki = 0.4705 nM 9.33
CHEMBL1489369 Ki = 17.18 nM 7.76
CHEMBL445102 Ki = 29.5 nM 7.53
CHEMBL2105760 BREXPIPRAZOLE Ki = 65.55 nM 7.18
CHEMBL1200492 NEFAZODONE HYDROCHLORIDE Ki = 175.27 nM 6.76
CHEMBL103769 Ki = 208.79 nM 6.68
CHEMBL79834 SPIRAMIDE Ki = 210.16 nM 6.68
CHEMBL1263 SALMETEROL Ki = 294.2 nM 6.53
CHEMBL540612 Ki = 303.88 nM 6.52
CHEMBL1707 LOPERAMIDE HYDROCHLORIDE Ki = 517.19 nM 6.29
CHEMBL267777 RITANSERIN Ki = 567.74 nM 6.25
CHEMBL1095777 INDACATEROL Ki = 770.02 nM 6.11
CHEMBL1200776 CINACALCET HYDROCHLORIDE Ki = 785.15 nM 6.11
CHEMBL5089005 Ki = 833.1 nM 6.08
CHEMBL405355 NIGULDIPINE Ki = 862.09 nM 6.06
CHEMBL567303 PALOSURAN Ki = 995.29 nM 6.00
CHEMBL83894 FANANSERIN Ki = 1101.92 nM 5.96
CHEMBL1215661 PRUVANSERIN Ki = 1100.27 nM 5.96
CHEMBL5076314 Ki = 1145.25 nM 5.94
CHEMBL2057618 Ki = 2433.32 nM 5.61
CHEMBL2024517 CARIPRAZINE HYDROCHLORIDE Ki = 3076.1 nM 5.51
CHEMBL1376064 Ki = 4054.15 nM 5.39
CHEMBL34730 Ki = 4376.23 nM 5.36
CHEMBL143210 Ki = 7612.02 nM 5.12
CHEMBL7353 Ki = 7773.2 nM 5.11
CHEMBL1256844 Ki > 10000.0 nM -
CHEMBL2103873 MACITENTAN Ki > 10000.0 nM -
CHEMBL2062257 Ki > 10000.0 nM -
CHEMBL679 EPINEPHRINE Ki > 10000.0 nM -
CHEMBL214957 Ki > 10000.0 nM -
CHEMBL593013 Ki > 10000.0 nM -