Reaction Details Report a problem with these data
Target
Gonadotropin-releasing hormone receptor
Ligand
BDBM405269
Substrate
n/a
Meas. Tech.
Activity Assay
IC50
0.960±n/a nM
Citation
 Lu, H; Sun, P; Gui, B; Dong, Q Pyrazolopyrimidone or Pyrrolotriazone derivatives, method of preparing same, and pharmaceutical applications thereof US Patent  US10344034 Publication Date 7/9/2019 
Target
Name:
Gonadotropin-releasing hormone receptor
Synonyms:
GNRHR | GNRHR_HUMAN | GRHR | GnRH receptor | GnRH-R | Gonadotropin releasing hormone 1 (GnRHR1) | Gonadotropin-releasing hormone receptor | Gonadotropin-releasing hormone receptor (GnRH)
Type:
Enzyme
Mol. Mass.:
37749.45
Organism:
Homo sapiens (Human)
Description:
P30968
Residue:
328
Sequence:
MANSASPEQNQNHCSAINNSIPLMQGNLPTLTLSGKIRVTVTFFLFLLSATFNASFLLKLQKWTQKKEKGKKLSRMKLLLKHLTLANLLETLIVMPLDGMWNITVQWYAGELLCKVLSYLKLFSMYAPAFMMVVISLDRSLAITRPLALKSNSKVGQSMVGLAWILSSVFAGPQLYIFRMIHLADSSGQTKVFSQCVTHCSFSQWWHQAFYNFFTFSCLFIIPLFIMLICNAKIIFTLTRVLHQDPHELQLNQSKNNIPRARLKTLKMTVAFATSFTVCWTPYYVLGIWYWFDPEMLNRLSDPVNHFFFLFAFLNPCFDPLIYGYFSL
  
Inhibitor
Name:
BDBM405269
Synonyms:
1-(4-(3-((dimethylamino)methyl)-5-(2-fluoro-3-methoxyphenyl)-7-(2-fluoro-6-(trifluoromethyl)benzyl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-2-yl)phenyl)-3-ethylurea | US10344034, Example 6 | US10633388, Example 6
Type:
Small organic molecule
Emp. Form.:
C32H30F5N7O4
Mol. Mass.:
671.6171
SMILES:
CCNC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(-c3cccc(OC)c3F)c(=O)c2c1CN(C)C |(-9.91,-2,;-8.37,-2,;-7.6,-.67,;-6.06,-.67,;-5.29,-2,;-5.29,.67,;-3.75,.67,;-2.98,-.67,;-1.44,-.67,;-.67,.67,;-1.44,2,;-2.98,2,;.87,.67,;1.78,-.58,;3.24,-.1,;4.57,-.87,;4.57,-2.41,;5.91,-3.18,;7.24,-2.41,;8.58,-1.64,;8.58,-3.18,;8.58,-4.72,;7.24,-5.49,;5.86,-4.75,;4.53,-5.52,;3.19,-6.29,;5.3,-6.85,;3.76,-4.19,;5.91,-.1,;7.24,-.87,;5.91,1.44,;7.24,2.21,;8.58,1.44,;9.91,2.21,;9.91,3.75,;8.58,4.52,;8.58,6.06,;7.24,6.83,;7.24,3.75,;5.91,4.52,;4.57,2.21,;4.57,3.75,;3.24,1.44,;1.78,1.91,;1.38,3.4,;-.11,3.8,;-.51,5.29,;-1.2,2.71,)|
Structure:
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