Brief Information of the Compound and Protein
Compound Name
1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)amino)methyl)-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)-3-benzylurea
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PubChem ID
CID: 44417614
Canonical SMILES
CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)NCc2ccccc2)cc1)Cc1ccccc1
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Compound Formula C42H35F2N5O3S
Compound Structure
Protein Name
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)
>
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)  13
1
IC50 = 20 nM
   TI
   LI
   LO
   TS
2
IC50 = 30 nM
   TI
   LI
   LO
   TS
3
IC50 = 70 nM
   TI
   LI
   LO
   TS
4
IC50 = 190 nM
   TI
   LI
   LO
   TS
5
IC50 = 390 nM
   TI
   LI
   LO
   TS
6
IC50 = 500 nM
   TI
   LI
   LO
   TS
7
IC50 = 600 nM
   TI
   LI
   LO
   TS
8
IC50 = 900 nM
   TI
   LI
   LO
   TS
9
IC50 = 1100 nM
   TI
   LI
   LO
   TS
10
IC50 = 1200 nM
   TI
   LI
   LO
   TS
11
IC50 = 1400 nM
   TI
   LI
   LO
   TS
12
IC50 = 4000 nM
   TI
   LI
   LO
   TS
13
IC50 = 6000 nM
   TI
   LI
   LO
   TS