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Target
Gonadotropin-releasing hormone receptor
Ligand
BDBM50110612
Substrate
n/a
Meas. Tech.
ChEMBL_71455 (CHEMBL685984)
IC50
0.900000±n/a nM
Citation
 Young, JR; Huang, SX; Walsh, TF; Wyvratt, MJ; Yang, YT; Yudkovitz, JB; Cui, J; Mount, GR; Ren, RN; Wu, TJ; Shen, X; Lyons, KA; Mao, AH; Carlin, JR; Karanam, BV; Vincent, SH; Cheng, K; Goulet, MT 2-Arylindoles as gonadotropin releasing hormone (GnRH) antagonists: optimization of the tryptamine side chain. Bioorg Med Chem Lett 12:827-32 (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:
BDBM50110612
Synonyms:
1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethyl-phenyl)-3-{(S)-1-methyl-2-[2-(2-trifluoromethyl-1H-benzoimidazol-5-yl)-ethylamino]-ethyl}-1H-indol-5-yl)-2-methyl-propan-1-one | CHEMBL168726
Type:
Small organic molecule
Emp. Form.:
C40H46F3N5O
Mol. Mass.:
669.8213
SMILES:
C[C@H](CNCCc1ccc2nc([nH]c2c1)C(F)(F)F)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,(4.55,1.53,;4.55,-.22,;6.06,-1.1,;7.58,-.22,;9.09,-1.1,;10.62,-.22,;12.11,-1.12,;12.14,-2.88,;13.65,-3.73,;15.14,-2.85,;16.8,-3.38,;17.82,-1.97,;16.81,-.57,;15.14,-1.1,;13.63,-.22,;19.57,-1.97,;21.51,-1.91,;19.54,-3.57,;19.54,.02,;3.04,-1.1,;3.05,-2.64,;1.73,-3.41,;.41,-2.64,;-.9,-3.43,;-2.23,-2.69,;-2.25,-1.15,;-.93,-.38,;.4,-1.12,;-3.58,-.38,;-2.81,.95,;-4.67,.71,;-4.9,-1.15,;-4.88,-2.69,;-6.23,-.41,;-5.31,.87,;-7.08,1.93,;-7.08,3.18,;-8.02,2.22,;-8.02,.68,;-9.89,-.33,;-9.02,1.05,;4.38,-3.38,;5.69,-2.61,;7.02,-3.35,;8.34,-2.56,;7.04,-4.89,;5.72,-5.66,;5.73,-7.2,;4.39,-4.92,)|
Structure:
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