Brief Information of the Compound and Protein
Compound Name
 Compound Info 
3-[(Benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-benzyl)-2-(4-isobutyrylamino-phenyl)-4-oxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxylic acid isopropyl ester; hydrochloride
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 PubChem ID
CID: 9874838
Canonical SMILES
CC(C)OC(=O)c1cn(Cc2c(F)cccc2F)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)C(C)C)cc1
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Compound Formula C37H37F2N3O4S
Compound Structure
Protein Name
 Protein Info 
Gonadotropin-releasing hormone receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
>
Short peptide receptor (family A GPCR)
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GnRH receptor
Uniprot ID
P30968
Gene Name
GNRHR
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)  4
1
IC50 = 0.2 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.6 nM
   TI
   LI
   LO
   TS
3
IC50 = 2 nM
   TI
   LI
   LO
   TS
4
Ki = 0.2 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 5.012 nM
   TI
   LI
   LO
   TS
2
Ki = 0.1 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.2 nM
2 IC50 = 4 nM
3 IC50 = 60 nM
4 Ki = 0.2 nM