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Assay Detail

CHEMBL4144845

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

Functional
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
17
Total Activities
16
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Functional
Organism Homo sapiens
Cell Type CCRF-CEM
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

C-X-C chemokine receptor type 4 (CHEMBL2107)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Synthesis of Novel Tetrahydroisoquinoline CXCR4 Antagonists with Rigidified Side-Chains.
Jecs E, Miller EJ, Wilson RJ, Nguyen HH, Tahirovic YA, Katzman BM, Truax VM, Kim MB, Kuo KM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.
ACS Med Chem Lett (2018) 9 : 89 -93
PubMed 29456793 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 17 7.11 8.19

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4163770 2 8.19
CHEMBL4159607 1 8.07
CHEMBL4096305 1 8.00
CHEMBL4164075 1 7.55
CHEMBL4161528 1 7.55
CHEMBL4175088 1 7.47
CHEMBL4175500 1 7.36
CHEMBL4174727 1 7.10
CHEMBL4164874 1 7.01
CHEMBL4086147 1 6.89
CHEMBL4160401 1 6.68
CHEMBL4167521 1 6.64
CHEMBL4171643 1 6.55
CHEMBL4167221 1 6.47
CHEMBL4169450 1 5.75
CHEMBL4161850 1 5.75

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4163770 IC50 = 6.4 nM 8.19
CHEMBL4159607 IC50 = 8.6 nM 8.07
CHEMBL4096305 IC50 = 10.0 nM 8.00
CHEMBL4163770 IC50 = 13.0 nM 7.89
CHEMBL4164075 IC50 = 28.0 nM 7.55
CHEMBL4161528 IC50 = 28.0 nM 7.55
CHEMBL4175088 IC50 = 34.0 nM 7.47
CHEMBL4175500 IC50 = 44.0 nM 7.36
CHEMBL4174727 IC50 = 80.0 nM 7.10
CHEMBL4164874 IC50 = 98.0 nM 7.01
CHEMBL4086147 IC50 = 130.0 nM 6.89
CHEMBL4160401 IC50 = 210.0 nM 6.68
CHEMBL4167521 IC50 = 230.0 nM 6.64
CHEMBL4171643 IC50 = 280.0 nM 6.55
CHEMBL4167221 IC50 = 340.0 nM 6.47
CHEMBL4169450 IC50 = 1800.0 nM 5.75
CHEMBL4161850 IC50 = 1800.0 nM 5.75