Brief Information of the Compound and Protein
Compound Name
 Compound Info 
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-methoxyurea
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 PubChem ID
CID: 3038517
SID: 12015459
Canonical SMILES
CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
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Compound Formula C36H31F2N5O4S
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)
>
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)  7
1
IC50 = 0.06 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.1 nM
   TI
   LI
   LO
   TS
3
IC50 = 0.6 nM
   TI
   LI
   LO
   TS
4
IC50 = 1.6 nM
   TI
   LI
   LO
   TS
5
IC50 = 1.9 nM
   TI
   LI
   LO
   TS
6
IC50 = 10 nM
   TI
   LI
   LO
   TS
7
IC50 = 270 nM
   TI
   LI
   LO
   TS
CL000053 COS-7
 Cell Line Info 
Chlorocebus aethiops (Green monkey)  12
1
IC50 = 0.5 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.7 nM
   TI
   LI
   LO
   TS
3
IC50 = 0.8 nM
   TI
   LI
   LO
   TS
4
IC50 = 1.2 nM
   TI
   LI
   LO
   TS
5
IC50 = 1.9 nM
   TI
   LI
   LO
   TS
6
IC50 = 6 nM
   TI
   LI
   LO
   TS
7
IC50 = 10 nM
   TI
   LI
   LO
   TS
8
IC50 = 12 nM
   TI
   LI
   LO
   TS
9
IC50 = 24 nM
   TI
   LI
   LO
   TS
10
IC50 = 110 nM
   TI
   LI
   LO
   TS
11
IC50 = 120 nM
   TI
   LI
   LO
   TS
12
IC50 = 190 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.1 nM
2 IC50 = 0.3 nM
3 IC50 = 0.4 nM
4 IC50 = 0.5 nM
5 IC50 = 0.6 nM
6 IC50 = 0.7 nM
7 IC50 = 0.8 nM
8 IC50 = 0.9 nM
9 IC50 = 1.1 nM
10 IC50 = 1.2 nM
11 IC50 = 1.3 nM
12 IC50 = 1.4 nM
13 IC50 = 1.8 nM
14 IC50 = 1.9 nM
15 IC50 = 2 nM
16 IC50 = 2.3 nM
17 IC50 = 2.5 nM
18 IC50 = 3 nM
19 IC50 = 4.3 nM
20 IC50 = 5.2 nM
21 IC50 = 6.3 nM
22 IC50 = 8.5 nM
23 IC50 = 9.7 nM
24 IC50 = 10 nM
25 IC50 = 12.1 nM
26 IC50 = 23.4 nM
27 IC50 = 24.4 nM
28 IC50 = 94.9 nM
29 IC50 = 108 nM
30 IC50 = 115 nM
31 IC50 = 148 nM
32 IC50 = 192 nM
33 IC50 = 193 nM
34 IC50 = 240 nM
35 IC50 = 242 nM
36 IC50 = 470 nM
37 IC50 = 1070 nM
38 Ki = 0.2 nM