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Assay Detail

CHEMBL5442185

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

Binding
PDSP Secondary Binding target: TMEM97 - 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.
74
Total Activities
74
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

Sigma intracellular receptor 2 (CHEMBL4105907)
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 74 6.30 8.15

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4164059 PITOLISANT HYDROCHLORIDE 4.0 1 8.15
CHEMBL1256844 1 7.99
CHEMBL1200809 AZELASTINE HYDROCHLORIDE 4.0 1 7.50
CHEMBL1263 SALMETEROL 4.0 1 7.49
CHEMBL1707 LOPERAMIDE HYDROCHLORIDE 4.0 1 7.44
CHEMBL4750757 1 7.43
CHEMBL1516474 TEGASEROD MALEATE 4.0 1 7.24
CHEMBL2018875 1 7.20
CHEMBL2105760 BREXPIPRAZOLE 4.0 1 7.20
CHEMBL1256998 1 7.19
CHEMBL2107572 TECALCET HYDROCHLORIDE 2.0 1 7.13
CHEMBL1095777 INDACATEROL 4.0 1 6.97
CHEMBL540612 1 6.95
CHEMBL103769 1 6.82
CHEMBL1722209 TOLTERODINE TARTRATE 4.0 1 6.78
CHEMBL3039520 LASMIDITAN 4.0 1 6.74
CHEMBL214957 1 6.73
CHEMBL3215877 1 6.70
CHEMBL21283 1 6.69
CHEMBL74355 VOLINANSERIN 3.0 1 6.69
CHEMBL1200492 NEFAZODONE HYDROCHLORIDE 4.0 1 6.65
CHEMBL2030155 1 6.62
CHEMBL445102 1 6.57
CHEMBL5076917 1 6.51
CHEMBL405355 NIGULDIPINE 2.0 1 6.49
CHEMBL267777 RITANSERIN 2.0 1 6.47
CHEMBL1671 PROPRANOLOL HYDROCHLORIDE 4.0 1 6.45
CHEMBL1633 KETOTIFEN FUMARATE 4.0 1 6.44
CHEMBL1200776 CINACALCET HYDROCHLORIDE 4.0 1 6.41
CHEMBL3675743 1 6.31

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4164059 PITOLISANT HYDROCHLORIDE Ki = 7.014 nM 8.15
CHEMBL1256844 Ki = 10.15 nM 7.99
CHEMBL1200809 AZELASTINE HYDROCHLORIDE Ki = 31.96 nM 7.50
CHEMBL1263 SALMETEROL Ki = 32.43 nM 7.49
CHEMBL1707 LOPERAMIDE HYDROCHLORIDE Ki = 36.68 nM 7.44
CHEMBL4750757 Ki = 37.03 nM 7.43
CHEMBL1516474 TEGASEROD MALEATE Ki = 57.24 nM 7.24
CHEMBL2018875 Ki = 63.38 nM 7.20
CHEMBL2105760 BREXPIPRAZOLE Ki = 63.01 nM 7.20
CHEMBL1256998 Ki = 64.77 nM 7.19
CHEMBL2107572 TECALCET HYDROCHLORIDE Ki = 74.59 nM 7.13
CHEMBL1095777 INDACATEROL Ki = 106.86 nM 6.97
CHEMBL540612 Ki = 112.99 nM 6.95
CHEMBL103769 Ki = 153.25 nM 6.82
CHEMBL1722209 TOLTERODINE TARTRATE Ki = 166.94 nM 6.78
CHEMBL3039520 LASMIDITAN Ki = 184.06 nM 6.74
CHEMBL214957 Ki = 185.35 nM 6.73
CHEMBL3215877 Ki = 197.74 nM 6.70
CHEMBL21283 Ki = 205.54 nM 6.69
CHEMBL74355 VOLINANSERIN Ki = 204.97 nM 6.69
CHEMBL1200492 NEFAZODONE HYDROCHLORIDE Ki = 221.95 nM 6.65
CHEMBL2030155 Ki = 242.1 nM 6.62
CHEMBL445102 Ki = 269.12 nM 6.57
CHEMBL5076917 Ki = 308.67 nM 6.51
CHEMBL405355 NIGULDIPINE Ki = 327.64 nM 6.49
CHEMBL267777 RITANSERIN Ki = 339.35 nM 6.47
CHEMBL1671 PROPRANOLOL HYDROCHLORIDE Ki = 352.9 nM 6.45
CHEMBL1633 KETOTIFEN FUMARATE Ki = 365.88 nM 6.44
CHEMBL1200776 CINACALCET HYDROCHLORIDE Ki = 388.24 nM 6.41
CHEMBL3675743 Ki = 488.65 nM 6.31
CHEMBL2024517 CARIPRAZINE HYDROCHLORIDE Ki = 488.09 nM 6.31
CHEMBL281350 SB-224289 Ki = 502.11 nM 6.30
CHEMBL259656 Ki = 508.86 nM 6.29
CHEMBL254129 CYCLOPAMINE Ki = 598.68 nM 6.22
CHEMBL542139 Ki = 662.9 nM 6.18
CHEMBL225155 Ki = 671.81 nM 6.17
CHEMBL5075931 Ki = 674.99 nM 6.17
CHEMBL531742 Ki = 700.49 nM 6.16
CHEMBL5089005 Ki = 693.96 nM 6.16
CHEMBL1474387 Ki = 701.29 nM 6.15
CHEMBL1256876 Ki = 754.48 nM 6.12
CHEMBL79834 SPIRAMIDE Ki = 899.29 nM 6.05
CHEMBL16192 CP-96345 Ki = 906.25 nM 6.04
CHEMBL5076314 Ki = 936.26 nM 6.03
CHEMBL567303 PALOSURAN Ki = 955.87 nM 6.02
CHEMBL300555 SPIROXATRINE Ki = 1009.95 nM 6.00
CHEMBL344159 TOLVAPTAN Ki = 1031.22 nM 5.99
CHEMBL4743495 Ki = 1056.17 nM 5.98
CHEMBL113142 ZM-241385 Ki = 1067.09 nM 5.97
CHEMBL1615374 VILAZODONE HYDROCHLORIDE Ki = 1089.05 nM 5.96