Brief Information of the Compound and Protein
Compound Name
N-[4-[5-[[benzyl(methyl)amino]methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidin-6-yl]phenyl]acetamide
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PubChem ID
CID: 44346667
Canonical SMILES
CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(C)=O)cc1)Cc1ccccc1
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Compound Formula C36H30F2N4O3S
Compound Structure
Protein Name
Gonadotropin-releasing hormone receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
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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
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  14
1
IC50 = 29 nM
   TI
   LI
   LO
   TS
2
IC50 = 31 nM
   TI
   LI
   LO
   TS
3
IC50 = 52 nM
   TI
   LI
   LO
   TS
4
IC50 = 160 nM
   TI
   LI
   LO
   TS
5
IC50 = 210 nM
   TI
   LI
   LO
   TS
6
IC50 = 230 nM
   TI
   LI
   LO
   TS
7
IC50 = 240 nM
   TI
   LI
   LO
   TS
8
IC50 = 1100 nM
   TI
   LI
   LO
   TS
9
IC50 = 1600 nM
   TI
   LI
   LO
   TS
10
IC50 = 1700 nM
   TI
   LI
   LO
   TS
11
IC50 = 2000 nM
   TI
   LI
   LO
   TS
12
IC50 = 2300 nM
   TI
   LI
   LO
   TS
13
IC50 = 2400 nM
   TI
   LI
   LO
   TS
14
IC50 = 4400 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 4.1 nM