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Assay Detail

CHEMBL2014022

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

ADMET
Inhibition of recombinant CYP2C9
11
Total Activities
11
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Confidence 8 — Homologous single protein target
Curated By Autocuration

Target

Cytochrome P450 2C9 (CHEMBL3397)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of P2X3 selective antagonists for the treatment of chronic pain.
Cantin LD, Bayrakdarian M, Buon C, Grazzini E, Hu YJ, Labrecque J, Leung C, Luo X, Martino G, Paré M, Payza K, Popovic N, Projean D, Santhakumar V, Walpole C, Yu XH, Tomaszewski MJ.
Bioorg Med Chem Lett (2012) 22 : 2565 -2571
PubMed 22370269 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 11 5.26 5.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2011112 1 5.70
CHEMBL2011113 1 5.62
CHEMBL2011115 1 5.62
CHEMBL2011119 1 5.62
CHEMBL2011126 1 5.16
CHEMBL2011127 1 5.16
CHEMBL2011118 1 5.14
CHEMBL2011123 1 4.96
CHEMBL2011122 1 4.85
CHEMBL2011125 1 4.80
CHEMBL2011120 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2011112 IC50 = 2000.0 nM 5.70
CHEMBL2011113 IC50 = 2400.0 nM 5.62
CHEMBL2011115 IC50 = 2400.0 nM 5.62
CHEMBL2011119 IC50 = 2400.0 nM 5.62
CHEMBL2011126 IC50 = 7000.0 nM 5.16
CHEMBL2011127 IC50 = 7000.0 nM 5.16
CHEMBL2011118 IC50 = 7300.0 nM 5.14
CHEMBL2011123 IC50 = 11000.0 nM 4.96
CHEMBL2011122 IC50 = 14000.0 nM 4.85
CHEMBL2011125 IC50 = 16000.0 nM 4.80
CHEMBL2011120 IC50 > 10000.0 nM -