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Assay Detail

CHEMBL4059167

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

Binding
Antagonist activity at mAChR in human CCRF-CEM cells assessed as decrease in acetylacholine-stimulated Ca2+ flux preincubated for 25 mins followed by acetylacholine addition measured for 90 secs by calcium dye-based fluorescence assay
48
Total Activities
48
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties.
Miller EJ, Jecs E, Truax VM, Katzman BM, Tahirovic YA, Wilson RJ, Kuo KM, Kim MB, Nguyen HH, Saindane MT, Zhao H, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.
J Med Chem (2018) 61 : 946 -979
PubMed 29350534 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 48 4.99 6.22

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4096305 1 6.22
CHEMBL4084920 1 5.92
CHEMBL4098635 1 5.61
CHEMBL4062981 1 5.46
CHEMBL4075205 1 5.25
CHEMBL4094123 1 5.16
CHEMBL4072645 1 5.16
CHEMBL4061381 1 5.06
CHEMBL4081338 1 4.94
CHEMBL4105591 1 4.94
CHEMBL4065224 1 4.94
CHEMBL4083122 1 4.91
CHEMBL4086739 1 4.89
CHEMBL4073818 1 4.89
CHEMBL4094400 1 4.73
CHEMBL4086662 1 4.73
CHEMBL4071612 1 4.70
CHEMBL4059462 1 4.70
CHEMBL4070320 1 4.70
CHEMBL4099550 1 4.67
CHEMBL4081958 1 4.66
CHEMBL4075694 1 4.59
CHEMBL4062223 1 4.55
CHEMBL4066459 1 4.46
CHEMBL4076841 1 -
CHEMBL4089531 1 -
CHEMBL4074366 1 -
CHEMBL4101106 1 -
CHEMBL4084652 1 -
CHEMBL4092405 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4096305 IC50 = 605.0 nM 6.22
CHEMBL4084920 IC50 = 1200.0 nM 5.92
CHEMBL4098635 IC50 = 2450.0 nM 5.61
CHEMBL4062981 IC50 = 3430.0 nM 5.46
CHEMBL4075205 IC50 = 5610.0 nM 5.25
CHEMBL4094123 IC50 = 6980.0 nM 5.16
CHEMBL4072645 IC50 = 6940.0 nM 5.16
CHEMBL4061381 IC50 = 8760.0 nM 5.06
CHEMBL4081338 IC50 = 11500.0 nM 4.94
CHEMBL4105591 IC50 = 11400.0 nM 4.94
CHEMBL4065224 IC50 = 11500.0 nM 4.94
CHEMBL4083122 IC50 = 12200.0 nM 4.91
CHEMBL4086739 IC50 = 12900.0 nM 4.89
CHEMBL4073818 IC50 = 13000.0 nM 4.89
CHEMBL4086662 IC50 = 18800.0 nM 4.73
CHEMBL4094400 IC50 = 18800.0 nM 4.73
CHEMBL4070320 IC50 = 19900.0 nM 4.70
CHEMBL4071612 IC50 = 19900.0 nM 4.70
CHEMBL4059462 IC50 = 19900.0 nM 4.70
CHEMBL4099550 IC50 = 21400.0 nM 4.67
CHEMBL4081958 IC50 = 22000.0 nM 4.66
CHEMBL4075694 IC50 = 25700.0 nM 4.59
CHEMBL4062223 IC50 = 28200.0 nM 4.55
CHEMBL4066459 IC50 = 35100.0 nM 4.46
CHEMBL4068122 IC50 > 33300.0 nM -
CHEMBL4059622 IC50 > 16700.0 nM -
CHEMBL4080718 IC50 > 16700.0 nM -
CHEMBL4104948 IC50 > 16700.0 nM -
CHEMBL4104056 IC50 > 33300.0 nM -
CHEMBL4086147 IC50 > 16700.0 nM -
CHEMBL4070843 IC50 > 16700.0 nM -
CHEMBL4078260 IC50 > 33300.0 nM -
CHEMBL4097946 IC50 > 33300.0 nM -
CHEMBL4081436 IC50 > 33300.0 nM -
CHEMBL4089307 IC50 > 33300.0 nM -
CHEMBL4090235 IC50 > 33300.0 nM -
CHEMBL4088588 IC50 > 16700.0 nM -
CHEMBL4065751 IC50 > 16700.0 nM -
CHEMBL3091687 IC50 > 30000.0 nM -
CHEMBL4082134 IC50 > 33300.0 nM -
CHEMBL3091683 IC50 > 30000.0 nM -
CHEMBL4090772 IC50 > 16700.0 nM -
CHEMBL4092405 IC50 > 33300.0 nM -
CHEMBL4084652 IC50 > 16700.0 nM -
CHEMBL4101106 IC50 > 16700.0 nM -
CHEMBL4074366 IC50 > 33300.0 nM -
CHEMBL4089531 IC50 > 16700.0 nM -
CHEMBL4076841 IC50 > 16700.0 nM -