Reaction Details Report a problem with these data
Target
Gonadotropin-releasing hormone receptor
Ligand
BDBM50116242
Substrate
n/a
Meas. Tech.
ChEBML_71597
Ki
65±n/a nM
Citation
 Gross, TD; Zhu, YF; Saunders, J; Wilcoxen, KM; Gao, Y; Connors, PJ; Guo, Z; Struthers, RS; Reinhart, GJ; Chen, C Design, synthesis and structure-activity relationships of novel imidazolo[1,2-a]pyrimid-5-ones as potent GnRH receptor antagonists. Bioorg Med Chem Lett 12:2185-7 (2002) [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:
BDBM50116242
Synonyms:
8-(2-Fluoro-benzyl)-2-(4-methoxy-phenyl)-6-(2-methoxy-phenyl)-7-methyl-3-{[methyl-(2-pyridin-2-yl-ethyl)-amino]-methyl}-8H-imidazo[1,2-a]pyrimidin-5-one | CHEMBL71400
Type:
Small organic molecule
Emp. Form.:
C37H36FN5O3
Mol. Mass.:
617.7118
SMILES:
COc1ccc(cc1)-c1nc2n(Cc3ccccc3F)c(C)c(-c3ccccc3OC)c(=O)n2c1CN(C)CCc1ccccn1 |(-8.58,-6.47,;-7.81,-5.14,;-6.27,-5.13,;-5.48,-6.47,;-3.94,-6.46,;-3.19,-5.13,;-3.96,-3.79,;-5.5,-3.79,;-1.65,-5.13,;-.75,-6.38,;.72,-5.9,;2.04,-6.66,;2.04,-8.2,;.71,-8.97,;-.62,-8.17,;-1.95,-8.96,;-1.95,-10.5,;-.61,-11.27,;.72,-10.5,;2.05,-11.25,;3.37,-5.9,;4.71,-6.67,;3.37,-4.36,;4.7,-3.6,;4.7,-2.06,;6.03,-1.29,;7.38,-2.06,;7.37,-3.6,;6.03,-4.37,;6.03,-5.9,;7.36,-6.68,;2.04,-3.58,;2.04,-2.04,;.72,-4.36,;-.75,-3.88,;-1.23,-2.41,;-.19,-1.27,;1.31,-1.59,;-.67,.19,;-2.17,.51,;-2.65,1.98,;-4.15,2.29,;-4.64,3.75,;-3.61,4.9,;-2.09,4.59,;-1.63,3.12,)|
Structure:
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