Reaction Details Report a problem with these data
Target
Gonadotropin-releasing hormone receptor
Ligand
BDBM50121104
Substrate
n/a
Meas. Tech.
ChEBML_71749
Ki
3000±n/a nM
Citation
 Luthin, DR; Hong, Y; Pathak, VP; Paderes, G; Nared-Hood, KD; Castro, MA; Vazir, H; Li, H; Tompkins, E; Christie, L; May, JM; Anderson, MB The discovery of novel small molecule non-peptide gonadotropin releasing hormone (GnRH) receptor antagonists. Bioorg Med Chem Lett 12:3467-70 (2002) [PubMed]  Article 
Target
Name:
Gonadotropin-releasing hormone receptor
Synonyms:
GNRHR_RAT | GnRH receptor | GnRH-R | Gnrhr
Type:
PROTEIN
Mol. Mass.:
37767.60
Organism:
Rattus norvegicus
Description:
ChEMBL_1335047
Residue:
327
Sequence:
MANNASLEQDQNHCSAINNSIPLTQGKLPTLTLSGKIRVTVTFFLFLLSTAFNASFLVKLQRWTQKRKKGKKLSRMKVLLKHLTLANLLETLIVMPLDGMWNITVQWYAGEFLCKVLSYLKLFSMYAPAFMMVVISLDRSLAVTQPLAVQSKSKLERSMTSLAWILSIVFAGPQLYIFRMIYLADGSGPAVFSQCVTHCSFPQWWHEAFYNFFTFSCLFIIPLLIMLICNAKIIFALTRVLHQDPRKLQLNQSKNNIPRARLRTLKMTVAFGTSFVICWTPYYVLGIWYWFDPEMLNRVSEPVNHFFFLFAFLNPCFDPLIYGYFSL
  
Inhibitor
Name:
BDBM50121104
Synonyms:
4-({[5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carbonyl]-amino}-methyl)-cyclohexanecarboxylic acid | CHEMBL323687
Type:
Small organic molecule
Emp. Form.:
C29H39NO4
Mol. Mass.:
465.6243
SMILES:
Cc1cc2c(cc1Cc1ccc(o1)C(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O)C(C)(C)CCC2(C)C |wU:20.25,wD:17.18,(8.87,-7.01,;7.54,-6.23,;6.19,-7,;4.86,-6.23,;4.86,-4.69,;6.19,-3.92,;7.54,-4.69,;8.87,-3.92,;8.89,-2.38,;10.04,-1.34,;9.41,.05,;7.89,-.1,;7.56,-1.61,;6.87,1.07,;5.35,.76,;7.36,2.51,;6.35,3.68,;4.84,3.38,;3.83,4.54,;2.32,4.26,;1.83,2.79,;2.83,1.63,;4.32,1.93,;.31,2.47,;-.18,1.02,;-.72,3.63,;3.53,-3.92,;4.88,-3.15,;2.2,-3.15,;2.2,-4.69,;2.2,-6.23,;3.53,-7,;4.63,-8.08,;2.04,-7.4,)|
Structure:
Search PDB for entries with ligand similarity: