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Target
Gonadotropin-releasing hormone receptor
Ligand
BDBM50149268
Substrate
n/a
Meas. Tech.
ChEMBL_302845 (CHEMBL827890)
Ki
39±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:
BDBM50149268
Synonyms:
3-((S)-2-Amino-4-methyl-pentyl)-1-(2,6-difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-1H-pyrimidine-2,4-dione | CHEMBL116259
Type:
Small organic molecule
Emp. Form.:
C25H28F3N3O3
Mol. Mass.:
475.5033
SMILES:
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](N)CC(C)C)c1=O |wD:26.28,(12.09,5.83,;10.76,5.06,;10.76,3.54,;12.09,2.75,;12.09,1.21,;10.76,.44,;9.43,1.23,;9.43,2.75,;8.1,3.54,;8.08,.46,;8.08,-1.07,;9.41,-1.84,;6.75,-1.85,;6.75,-3.39,;8.08,-4.16,;9.41,-3.39,;10.5,-2.29,;10.74,-4.16,;10.74,-5.7,;9.41,-6.47,;8.08,-5.7,;6.74,-6.47,;5.42,-1.08,;4.08,-1.84,;5.42,.47,;4.09,1.24,;2.75,.48,;1.42,1.25,;2.75,-1.06,;1.41,-1.83,;.08,-1.06,;1.41,-3.37,;6.75,1.24,;6.77,2.78,)|
Structure:
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