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Target
Gonadotropin-releasing hormone receptor
Ligand
BDBM50162014
Substrate
n/a
Meas. Tech.
ChEMBL_302845 (CHEMBL827890)
Ki
3.1±n/a nM
Citation
 Tucci, FC; Zhu, YF; Struthers, RS; Guo, Z; Gross, TD; Rowbottom, MW; Acevedo, O; Gao, Y; Saunders, J; Xie, Q; Reinhart, GJ; Liu, XJ; Ling, N; Bonneville, AK; Chen, T; Bozigian, H; Chen, C 3-[(2R)-Amino-2-phenylethyl]-1-(2,6-difluorobenzyl)-5-(2-fluoro-3-methoxyphenyl)- 6-methylpyrimidin-2,4-dione (NBI 42902) as a potent and orally active antagonist of the human gonadotropin-releasing hormone receptor. Design, synthesis, and in vitro and in vivo characterization. J Med Chem 48:1169-78 (2005) [PubMed]  Article 
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:
BDBM50162014
Synonyms:
3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-5-(2-fluoro-3-methyl-phenyl)-6-methyl-1H-pyrimidine-2,4-dione | CHEMBL180262
Type:
Small organic molecule
Emp. Form.:
C27H24F3N3O2
Mol. Mass.:
479.4936
SMILES:
Cc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O |wD:25.27,(4.09,5.41,;4.09,3.87,;5.44,3.1,;5.44,1.56,;4.09,.79,;2.76,1.58,;2.76,3.1,;1.45,3.87,;1.45,.81,;1.45,-.73,;2.76,-1.5,;.1,-1.5,;.1,-3.04,;1.45,-3.81,;2.76,-3.02,;1.43,-2.25,;4.09,-3.79,;4.09,-5.35,;2.76,-6.12,;1.45,-5.35,;.1,-6.12,;-1.23,-.73,;-2.54,-1.5,;-1.23,.81,;-2.54,1.58,;-3.89,.79,;-3.89,-.75,;-5.22,1.56,;-5.22,3.1,;-6.55,3.87,;-7.89,3.1,;-7.88,1.56,;-6.53,.79,;.1,1.58,;.1,3.12,)|
Structure:
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