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Target
Gonadotropin-releasing hormone receptor
Ligand
BDBM50162030
Substrate
n/a
Meas. Tech.
ChEMBL_302845 (CHEMBL827890)
Ki
4.6±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:
BDBM50162030
Synonyms:
3-((R)-2-Amino-2-phenyl-ethyl)-1-(2-bromo-benzyl)-5-(2-fluoro-phenyl)-6-methyl-1H-pyrimidine-2,4-dione | CHEMBL179531
Type:
Small organic molecule
Emp. Form.:
C26H23BrFN3O2
Mol. Mass.:
508.382
SMILES:
Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccccc1Br |wD:14.15,(3.92,-1.42,;2.57,-.65,;2.57,.89,;3.92,1.67,;5.23,.88,;6.56,1.65,;6.56,3.19,;5.23,3.94,;3.9,3.19,;2.57,3.96,;1.24,1.67,;1.24,3.21,;-.09,.89,;-1.42,1.67,;-2.75,.88,;-2.75,-.66,;-4.08,1.65,;-5.41,.88,;-6.74,1.63,;-6.74,3.19,;-5.41,3.96,;-4.08,3.19,;-.09,-.65,;-1.42,-1.42,;1.24,-1.41,;1.24,-2.95,;-.09,-3.72,;-1.42,-2.94,;-2.75,-3.71,;-2.75,-5.25,;-1.4,-6.02,;-.09,-5.25,;1.26,-6,)|
Structure:
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