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Target
Gonadotropin-releasing hormone receptor
Ligand
BDBM50162012
Substrate
n/a
Meas. Tech.
ChEMBL_302845 (CHEMBL827890)
Ki
27±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:
BDBM50162012
Synonyms:
1-(2,6-Difluoro-benzyl)-3-((R)-2-dimethylamino-3-methyl-butyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-1H-pyrimidine-2,4-dione | CHEMBL359681
Type:
Small organic molecule
Emp. Form.:
C26H30F3N3O3
Mol. Mass.:
489.5299
SMILES:
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C(C)C)N(C)C)c1=O |wD:26.31,(2.31,6.35,;3.65,5.59,;3.65,4.05,;4.98,3.26,;4.98,1.72,;3.65,.97,;2.32,1.74,;2.31,3.28,;.99,4.04,;.99,.97,;.99,-.57,;2.32,-1.34,;-.34,-1.34,;-.34,-2.85,;.99,-3.62,;2.31,-2.85,;.96,-2.08,;3.65,-3.62,;3.65,-5.16,;2.31,-5.93,;.99,-5.16,;-.37,-5.93,;-1.67,-.57,;-3,-1.34,;-1.67,.97,;-3.03,1.74,;-4.36,.97,;-5.69,1.72,;-7.02,.95,;-5.69,3.26,;-4.33,-.57,;-4.36,-2.11,;-5.66,-1.34,;-.34,1.75,;-.34,3.29,)|
Structure:
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