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Assay Detail

CHEMBL4124030

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

Binding
Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR assay
35
Total Activities
35
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type C6-BU-1
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

P2X purinoceptor 3 (CHEMBL2998)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Pyrrolinone derivatives as a new class of P2X3 receptor antagonists. Part 1: Initial structure-activity relationship studies of a hit from a high throughput screening.
Tobinaga H, Kameyama T, Oohara M, Kobayashi N, Ohdan M, Ishizuka N, Kume M, Tomari M, Tanaka Y, Takahashi F, Kinoshita H, Shimada S, Shinohara S, Kai H.
Bioorg Med Chem Lett (2018) 28 : 2338 -2342
PubMed 29805055 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 35 6.68 8.05

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4126267 1 8.05
CHEMBL4129184 1 8.00
CHEMBL4129491 1 7.72
CHEMBL4130242 1 7.70
CHEMBL4128213 1 7.70
CHEMBL4128106 1 7.68
CHEMBL4127637 1 7.60
CHEMBL4126833 1 7.52
CHEMBL4126038 1 7.14
CHEMBL4127346 1 7.05
CHEMBL596234 A-317491 1 7.04
CHEMBL4127133 1 7.00
CHEMBL4126971 1 6.89
CHEMBL4127788 1 6.89
CHEMBL4129357 1 6.87
CHEMBL4129031 1 6.85
CHEMBL4130133 1 6.58
CHEMBL4127171 1 6.44
CHEMBL4129977 1 6.43
CHEMBL4127905 1 6.25
CHEMBL4129705 1 5.99
CHEMBL4126274 1 5.86
CHEMBL4129638 1 5.48
CHEMBL4128222 1 5.41
CHEMBL4127573 1 5.37
CHEMBL1456917 1 5.32
CHEMBL4128051 1 5.23
CHEMBL4129448 1 5.01
CHEMBL4128476 1 -
CHEMBL4125741 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4126267 IC50 = 9.0 nM 8.05
CHEMBL4129184 IC50 = 10.0 nM 8.00
CHEMBL4129491 IC50 = 19.0 nM 7.72
CHEMBL4130242 IC50 = 20.0 nM 7.70
CHEMBL4128213 IC50 = 20.0 nM 7.70
CHEMBL4128106 IC50 = 21.0 nM 7.68
CHEMBL4127637 IC50 = 25.0 nM 7.60
CHEMBL4126833 IC50 = 30.0 nM 7.52
CHEMBL4126038 IC50 = 72.0 nM 7.14
CHEMBL4127346 IC50 = 90.0 nM 7.05
CHEMBL596234 A-317491 IC50 = 92.0 nM 7.04
CHEMBL4127133 IC50 = 100.0 nM 7.00
CHEMBL4126971 IC50 = 130.0 nM 6.89
CHEMBL4127788 IC50 = 130.0 nM 6.89
CHEMBL4129357 IC50 = 135.0 nM 6.87
CHEMBL4129031 IC50 = 140.0 nM 6.85
CHEMBL4130133 IC50 = 260.0 nM 6.58
CHEMBL4127171 IC50 = 360.0 nM 6.44
CHEMBL4129977 IC50 = 370.0 nM 6.43
CHEMBL4127905 IC50 = 560.0 nM 6.25
CHEMBL4129705 IC50 = 1020.0 nM 5.99
CHEMBL4126274 IC50 = 1370.0 nM 5.86
CHEMBL4129638 IC50 = 3280.0 nM 5.48
CHEMBL4128222 IC50 = 3930.0 nM 5.41
CHEMBL4127573 IC50 = 4240.0 nM 5.37
CHEMBL1456917 IC50 = 4790.0 nM 5.32
CHEMBL4128051 IC50 = 5920.0 nM 5.23
CHEMBL4129448 IC50 = 9800.0 nM 5.01
CHEMBL4128476 IC50 > 10000.0 nM -
CHEMBL4125741 IC50 > 10000.0 nM -
CHEMBL4128559 IC50 > 10000.0 nM -
CHEMBL4126976 IC50 > 10000.0 nM -
CHEMBL4129182 IC50 > 10000.0 nM -
CHEMBL4126198 IC50 > 10000.0 nM -
CHEMBL4129722 IC50 > 10000.0 nM -