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Target
Gonadotropin-releasing hormone receptor
Ligand
BDBM50120661
Substrate
n/a
Meas. Tech.
ChEBML_49074
IC50
0.500000±n/a nM
Citation
 Simeone, JP; Bugianesi, RL; Ponpipom, MM; Yang, YT; Lo, JL; Yudkovitz, JB; Cui, J; Mount, GR; Ren, RN; Creighton, M; Mao, AH; Vincent, SH; Cheng, K; Goulet, MT Modification of the pyridine moiety of non-peptidyl indole GnRH receptor antagonists. Bioorg Med Chem Lett 12:3329-32 (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:
BDBM50120661
Synonyms:
1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-[3-{(S)-2-[2-(2,6-dimethyl-1-oxy-pyridin-4-yl)-ethylamino]-1-methyl-ethyl}-2-(3,5-dimethyl-phenyl)-1H-indol-5-yl]-2-methyl-propan-1-one | CHEMBL431402
Type:
Small organic molecule
Emp. Form.:
C39H50N4O2
Mol. Mass.:
606.8399
SMILES:
C[C@H](CNCCc1cc(C)[n+]([O-])c(C)c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,TLB:27:29:33.32:35.36,(10.97,2.59,;11.45,1.13,;12.96,.81,;14,1.95,;15.5,1.62,;16.55,2.74,;18.06,2.4,;19.11,3.53,;20.62,3.16,;21.67,4.28,;21.05,1.7,;22.54,1.35,;20,.57,;20.46,-.89,;18.5,.92,;10.4,-.03,;10.72,-1.54,;9.4,-2.31,;8.26,-1.29,;6.74,-1.45,;5.83,-.21,;6.45,1.19,;7.98,1.35,;8.89,.13,;5.55,2.44,;4.62,3.68,;6.78,3.35,;4.3,1.53,;4.47,.02,;2.9,2.14,;3.41,3.43,;2.15,4.4,;2.48,6.03,;1.78,5.05,;1.57,3.14,;.09,2.86,;.68,4.14,;12.19,-2.01,;12.5,-3.53,;13.97,-4.01,;14.27,-5.53,;15.12,-2.97,;14.8,-1.47,;15.95,-.43,;13.33,-.99,)|
Structure:
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