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Target
Gonadotropin-releasing hormone receptor
Ligand
BDBM50162003
Substrate
n/a
Meas. Tech.
ChEMBL_302859 (CHEMBL828774)
Ki
15±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:
BDBM50162003
Synonyms:
1-(2,6-Difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-3-((R)-2-methylamino-2-phenyl-ethyl)-1H-pyrimidine-2,4-dione | CHEMBL180076
Type:
Small organic molecule
Emp. Form.:
C28H26F3N3O3
Mol. Mass.:
509.5195
SMILES:
CN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1cccc(OC)c1F)c1ccccc1 |wD:2.1,(-3.85,-2.39,;-3.85,-.85,;-3.85,.68,;-2.54,1.46,;-1.19,.69,;.15,1.49,;.15,3.03,;1.48,.69,;1.48,-.85,;2.8,-1.62,;.15,-1.59,;.15,-3.13,;1.48,-3.9,;2.8,-3.13,;1.45,-2.36,;4.14,-3.9,;4.14,-5.44,;2.8,-6.23,;1.48,-5.44,;.14,-6.23,;-1.19,-.85,;-2.51,-1.62,;2.8,1.46,;4.14,.68,;5.46,1.46,;5.48,2.99,;4.14,3.77,;4.14,5.31,;2.8,6.08,;2.8,2.99,;1.48,3.77,;-5.2,1.46,;-5.2,2.99,;-6.53,3.77,;-7.86,2.98,;-7.86,1.42,;-6.5,.68,)|
Structure:
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