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Target
Gonadotropin-releasing hormone receptor
Ligand
BDBM50162018
Substrate
n/a
Meas. Tech.
ChEMBL_302845 (CHEMBL827890)
Ki
100±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:
BDBM50162018
Synonyms:
3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-phenyl)-1-(2-methoxy-benzyl)-6-methyl-1H-pyrimidine-2,4-dione | CHEMBL366865
Type:
Small organic molecule
Emp. Form.:
C27H26FN3O3
Mol. Mass.:
459.512
SMILES:
COc1ccccc1Cn1c(C)c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O |wD:24.26,(1.22,-7.31,;1.22,-5.79,;-.12,-5.02,;-1.44,-5.79,;-2.79,-5.02,;-2.79,-3.48,;-1.46,-2.71,;-.13,-3.5,;1.2,-2.71,;1.2,-1.19,;2.53,-.43,;3.88,-1.2,;2.53,1.11,;3.88,1.91,;5.19,1.1,;6.54,1.87,;6.54,3.41,;5.19,4.17,;3.86,3.41,;2.53,4.19,;1.2,1.91,;1.2,3.45,;-.12,1.11,;-1.46,1.91,;-2.79,1.1,;-2.79,-.44,;-4.12,1.87,;-5.45,1.1,;-6.78,1.86,;-6.78,3.41,;-5.45,4.19,;-4.12,3.41,;-.12,-.43,;-1.46,-1.2,)|
Structure:
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