Brief Information of the Compound and Protein
Compound Name
1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}
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PubChem ID
CID: 65015
SID: 14933416
Canonical SMILES
C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
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Compound Formula C28H54N8
Compound Structure
Protein Name
C-X-C chemokine receptor type 4
Protein Classification
Membrane receptor
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Family A G protein-coupled receptor
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Peptide receptor (family A GPCR)
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Chemokine receptor
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CXC chemokine receptor
Uniprot ID
P61073
Gene Name
CXCR4
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000108 CCRF-CEM Homo sapiens (Human)  3
1
IC50 = 6 nM
   TI
   LI
   LO
   TS
2
IC50 = 245 nM
   TI
   LI
   LO
   TS
3
IC50 = 6200 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 51 nM
   TI
   LI
   LO
   TS
2
IC50 = 65 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 199.53 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 213.1 nM
   TI
   LI
   LO
   TS
CL000571 HPB-ALL Homo sapiens (Human)  3
1
IC50 = 290 nM
   TI
   LI
   LO
   TS
2
IC50 = 303 nM
   TI
   LI
   LO
   TS
3
IC50 = 561 nM
   TI
   LI
   LO
   TS
CL000200 SUP-T1 Homo sapiens (Human)  4
1
IC50 = 39.777247 nM
   TI
   LI
   LO
   TS
2
IC50 = 44 nM
   TI
   LI
   LO
   TS
3
IC50 = 113.365155 nM
   TI
   LI
   LO
   TS
4
IC50 > 1988.862371 nM
   TI
   LI
   LO
   TS
CL000570 U87.CD4.CXCR4 Homo sapiens (Human)  1
1
IC50 = 338.106603 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 74 nM