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Assay Detail

CHEMBL5442184

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

Binding
PDSP Secondary Binding target: SLC6A3 - 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.
ChEMBL ↗
39
Total Activities
39
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 dopamine transporter (CHEMBL238) ↗
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 39 6.03 7.66

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL543113 — — 1 7.66
CHEMBL1615374 VILAZODONE HYDROCHLORIDE 4.0 1 7.66
CHEMBL1095777 INDACATEROL 4.0 1 7.12
CHEMBL1263 SALMETEROL 4.0 1 6.83
CHEMBL1200492 NEFAZODONE HYDROCHLORIDE 4.0 1 6.67
CHEMBL103769 — — 1 6.53
CHEMBL267777 RITANSERIN 2.0 1 6.50
CHEMBL2105760 BREXPIPRAZOLE 4.0 1 6.44
CHEMBL3086703 — — 1 6.39
CHEMBL5076314 — — 1 6.35
CHEMBL1256876 — — 1 6.32
CHEMBL398435 TICAGRELOR 4.0 1 6.29
CHEMBL2391908 — — 1 6.28
CHEMBL405355 NIGULDIPINE 2.0 1 6.23
CHEMBL59898 — — 1 6.17
CHEMBL540612 — — 1 6.13
CHEMBL5089005 — — 1 6.01
CHEMBL281350 SB-224289 — 1 5.93
CHEMBL4743495 — — 1 5.91
CHEMBL445102 — — 1 5.85
CHEMBL1707 LOPERAMIDE HYDROCHLORIDE 4.0 1 5.85
CHEMBL5075931 — — 1 5.76
CHEMBL2024517 CARIPRAZINE HYDROCHLORIDE 4.0 1 5.71
CHEMBL1489369 — — 1 5.62
CHEMBL3215877 — — 1 5.61
CHEMBL83894 FANANSERIN 2.0 1 5.57
CHEMBL79834 SPIRAMIDE 2.0 1 5.56
CHEMBL38182 — — 1 5.54
CHEMBL2440659 — — 1 5.52
CHEMBL3235279 CAPADENOSON 2.0 1 5.50

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL543113 — Ki = 22.01 nM 7.66
CHEMBL1615374 VILAZODONE HYDROCHLORIDE Ki = 21.81 nM 7.66
CHEMBL1095777 INDACATEROL Ki = 75.02 nM 7.12
CHEMBL1263 SALMETEROL Ki = 149.42 nM 6.83
CHEMBL1200492 NEFAZODONE HYDROCHLORIDE Ki = 215.65 nM 6.67
CHEMBL103769 — Ki = 295.29 nM 6.53
CHEMBL267777 RITANSERIN Ki = 318.27 nM 6.50
CHEMBL2105760 BREXPIPRAZOLE Ki = 363.83 nM 6.44
CHEMBL3086703 — Ki = 402.3 nM 6.39
CHEMBL5076314 — Ki = 450.61 nM 6.35
CHEMBL1256876 — Ki = 478.08 nM 6.32
CHEMBL398435 TICAGRELOR Ki = 518.8 nM 6.29
CHEMBL2391908 — Ki = 520.2 nM 6.28
CHEMBL405355 NIGULDIPINE Ki = 590.61 nM 6.23
CHEMBL59898 — Ki = 673.28 nM 6.17
CHEMBL540612 — Ki = 733.67 nM 6.13
CHEMBL5089005 — Ki = 983.56 nM 6.01
CHEMBL281350 SB-224289 Ki = 1180.59 nM 5.93
CHEMBL4743495 — Ki = 1218.01 nM 5.91
CHEMBL445102 — Ki = 1401.68 nM 5.85
CHEMBL1707 LOPERAMIDE HYDROCHLORIDE Ki = 1412.7 nM 5.85
CHEMBL5075931 — Ki = 1719.49 nM 5.76
CHEMBL2024517 CARIPRAZINE HYDROCHLORIDE Ki = 1964.27 nM 5.71
CHEMBL1489369 — Ki = 2385.61 nM 5.62
CHEMBL3215877 — Ki = 2473.43 nM 5.61
CHEMBL83894 FANANSERIN Ki = 2689.68 nM 5.57
CHEMBL79834 SPIRAMIDE Ki = 2745.36 nM 5.56
CHEMBL38182 — Ki = 2851.02 nM 5.54
CHEMBL2440659 — Ki = 2989.86 nM 5.52
CHEMBL3235279 CAPADENOSON Ki = 3188.6 nM 5.50
CHEMBL52333 ROLOFYLLINE Ki = 3362.02 nM 5.47
CHEMBL254129 CYCLOPAMINE Ki = 3424.52 nM 5.46
CHEMBL259656 — Ki = 3456.6 nM 5.46
CHEMBL2179319 — Ki = 4309.23 nM 5.37
CHEMBL3287574 — Ki = 4486.93 nM 5.35
CHEMBL21283 — Ki = 4719.0 nM 5.33
CHEMBL4750757 — Ki = 4855.11 nM 5.31
CHEMBL260563 — Ki > 10000.0 nM -
CHEMBL18442 PLERIXAFOR Ki > 10000.0 nM -