Brief Information of the Compound and Protein
Compound Name
 Compound Info 
US9969687, Compound 65
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 PubChem ID
CID: 118197423
Canonical SMILES
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(Cc3ccc[n+]([O-])c3)C(=O)c12
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Compound Formula C24H22ClN3O5S
Compound Structure
Protein Name
 Protein Info 
C-C chemokine receptor type 9
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
>
Chemokine receptor
>
CC chemokine receptor
Uniprot ID
P51686
Gene Name
CCR9
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000116 MOLT-4
 Cell Line Info 
Homo sapiens (Human)  3
1
Ki = 13 nM
   TI
   LI
   LO
   TS
2
Ki = 38 nM
   TI
   LI
   LO
   TS
3
Ki = 74 nM
   TI
   LI
   LO
   TS