Reaction Details Report a problem with these data
Target
Gonadotropin-releasing hormone receptor
Ligand
BDBM405276
Substrate
n/a
Meas. Tech.
Receptor Activity Assay
IC50
0.920±n/a nM
Citation
 Lu, H; Sun, P; Gui, B; Dong, Q Pyrazolopyrimidone derivatives and methods of use thereof US Patent  US10633388 Publication Date 4/28/2020 
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:
BDBM405276
Synonyms:
1-(4-(1-(2,6-difluorobenzyl)-5-((dimethylamino)methyl)-3-(2-fluoro-3-methoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrrolo[2,1-f][1,2,4]triazin-6-yl)phenyl)-3-ethylurea | US10344034, Example 13 | US10633388, Example 13
Type:
Small organic molecule
Emp. Form.:
C32H31F3N6O4
Mol. Mass.:
620.6215
SMILES:
CCNC(=O)Nc1ccc(cc1)-c1cn2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3F)c(=O)c2c1CN(C)C |(-9.91,-2.67,;-8.37,-2.67,;-7.6,-1.33,;-6.06,-1.33,;-5.29,-2.67,;-5.29,,;-3.75,,;-2.98,-1.33,;-1.44,-1.33,;-.67,,;-1.44,1.33,;-2.98,1.33,;.87,,;1.78,-1.25,;3.24,-.77,;4.57,-1.54,;4.57,-3.08,;3.24,-3.85,;1.91,-3.08,;1.91,-1.9,;.57,-3.85,;.57,-5.39,;1.91,-6.16,;3.24,-5.39,;4.57,-6.16,;5.91,-.77,;7.24,-1.54,;5.91,.77,;7.24,1.54,;8.58,.77,;9.91,1.54,;9.91,3.08,;8.58,3.85,;8.58,5.39,;7.24,6.16,;7.24,3.08,;5.91,3.85,;4.57,1.54,;4.57,3.08,;3.24,.77,;1.78,1.25,;1.38,2.73,;2.47,3.82,;2.07,5.31,;3.95,3.42,)|
Structure:
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