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Assay Detail

CHEMBL4384561

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

Binding
Antagonist activity at human DEF3-RLuc fused CXCR4 receptor expressed in HEK293T cells co-expressing DEF3-Beta-arrestin-2-mVenus assessed as inhibition of CXCL12-induced beta-arrestin2 recruitment preincubated for 60 mins followed by CXCL12 addition measured after 20 mins by BRET assay
5
Total Activities
5
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
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

Structure-based exploration and pharmacological evaluation of N-substituted piperidin-4-yl-methanamine CXCR4 chemokine receptor antagonists.
Adlere I, Sun S, Zarca A, Roumen L, Gozelle M, Viciano CP, Caspar B, Arimont M, Bebelman JP, Briddon SJ, Hoffmann C, Hill SJ, Smit MJ, Vischer HF, Wijtmans M, de Graaf C, de Esch IJP, Leurs R.
Eur J Med Chem (2019) 162 : 631 -649
PubMed 30476826 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 5 5.95 7.30

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL460491 1 7.30
CHEMBL4438964 1 5.60
CHEMBL4452433 1 5.50
CHEMBL4514484 1 5.40
CHEMBL4531030 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL460491 IC50 = 50.12 nM 7.30
CHEMBL4438964 IC50 = 2511.89 nM 5.60
CHEMBL4452433 IC50 = 3162.28 nM 5.50
CHEMBL4514484 IC50 = 3981.07 nM 5.40
CHEMBL4531030 IC50 > 31622.78 nM -