Brief Information of the Compound and Protein
Compound Name
 Compound Info 
Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium chloride(TAK-779)
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 PubChem ID
CID: 183789
SID: 14861012
Canonical SMILES
Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)C4CCOCC4)cc2)CCC3)cc1.[Cl-]
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Compound Formula C33H39ClN2O2
Compound Structure
Protein Name
 Protein Info 
C-C chemokine receptor type 5
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
>
Chemokine receptor
>
CC chemokine receptor
Uniprot ID
P51681
Gene Name
CCR5
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1.4 nM
   TI
   LI
   LO
   TS
CL000053 COS-7
 Cell Line Info 
Chlorocebus aethiops (Green monkey)  1
1
IC50 = 1.4 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 7 nM
   TI
   LI
   LO
   TS
CL001058 MOLT-4/CCR5
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 7.9 nM
   TI
   LI
   LO
   TS
CL000043 U2OS
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 6 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1.4 nM
2 IC50 = 2 nM