Brief Information of the Compound and Protein
Compound Name
 Compound Info 
US9314468, Table 7, Compound 23
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 PubChem ID
CID: 70924194
Canonical SMILES
CS(=O)(=O)N1CCN(CCN(Cc2nccc3c2[nH]c2ccccc23)C2CCCc3cccnc32)CC1
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Compound Formula C28H34N6O2S
Compound Structure
Protein Name
 Protein Info 
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
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 9999 nM
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   LI
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   TS