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Assay Detail

CHEMBL4384558

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

Binding
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
34
Total Activities
34
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 34 6.13 8.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL460491 1 8.00
CHEMBL4452433 1 6.80
CHEMBL18442 PLERIXAFOR 4.0 1 6.70
CHEMBL4533528 1 6.70
CHEMBL4463564 1 6.60
CHEMBL4444949 1 6.60
CHEMBL4558842 1 6.60
CHEMBL4585865 1 6.50
CHEMBL4557428 1 6.50
CHEMBL4514484 1 6.50
CHEMBL4438964 1 6.30
CHEMBL4438705 1 6.30
CHEMBL4445831 1 6.20
CHEMBL4440964 1 6.10
CHEMBL4539571 1 6.10
CHEMBL4548557 1 6.10
CHEMBL4561387 1 6.00
CHEMBL4529593 1 6.00
CHEMBL4463569 1 5.90
CHEMBL4526858 1 5.70
CHEMBL4450496 1 5.60
CHEMBL4465129 1 5.60
CHEMBL4585203 1 5.60
CHEMBL4566356 1 5.50
CHEMBL4460308 1 5.00
CHEMBL4469048 1 5.00
CHEMBL4463684 1 5.00
CHEMBL4536186 1 -
CHEMBL4469779 1 -
CHEMBL4461446 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL460491 IC50 = 10.0 nM 8.00
CHEMBL4452433 IC50 = 158.49 nM 6.80
CHEMBL18442 PLERIXAFOR IC50 = 199.53 nM 6.70
CHEMBL4533528 IC50 = 199.53 nM 6.70
CHEMBL4463564 IC50 = 251.19 nM 6.60
CHEMBL4444949 IC50 = 251.19 nM 6.60
CHEMBL4558842 IC50 = 251.19 nM 6.60
CHEMBL4585865 IC50 = 316.23 nM 6.50
CHEMBL4557428 IC50 = 316.23 nM 6.50
CHEMBL4514484 IC50 = 316.23 nM 6.50
CHEMBL4438964 IC50 = 501.19 nM 6.30
CHEMBL4438705 IC50 = 501.19 nM 6.30
CHEMBL4445831 IC50 = 630.96 nM 6.20
CHEMBL4548557 IC50 = 794.33 nM 6.10
CHEMBL4539571 IC50 = 794.33 nM 6.10
CHEMBL4440964 IC50 = 794.33 nM 6.10
CHEMBL4529593 IC50 = 1000.0 nM 6.00
CHEMBL4561387 IC50 = 1000.0 nM 6.00
CHEMBL4463569 IC50 = 1258.93 nM 5.90
CHEMBL4526858 IC50 = 1995.26 nM 5.70
CHEMBL4450496 IC50 = 2511.89 nM 5.60
CHEMBL4465129 IC50 = 2511.89 nM 5.60
CHEMBL4585203 IC50 = 2511.89 nM 5.60
CHEMBL4566356 IC50 = 3162.28 nM 5.50
CHEMBL4469048 IC50 = 10000.0 nM 5.00
CHEMBL4463684 IC50 = 10000.0 nM 5.00
CHEMBL4460308 IC50 = 10000.0 nM 5.00
CHEMBL4536186 IC50 > 10000.0 nM -
CHEMBL4469779 IC50 > 10000.0 nM -
CHEMBL4461446 IC50 > 10000.0 nM -
CHEMBL4454166 IC50 > 10000.0 nM -
CHEMBL4443602 IC50 > 10000.0 nM -
CHEMBL4226649 IC50 > 10000.0 nM -
CHEMBL4531030 IC50 > 10000.0 nM -