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Target
Gonadotropin-releasing hormone receptor
Ligand
BDBM50189708
Substrate
n/a
Meas. Tech.
ChEMBL_367962 (CHEMBL871111)
IC50
7±n/a nM
Citation
 Imada, T; Cho, N; Imaeda, T; Hayase, Y; Sasaki, S; Kasai, S; Harada, M; Matsumoto, H; Endo, S; Suzuki, N; Furuya, S Design, synthesis, and structure-activity relationships of thieno[2,3-b]pyridin-4-one derivatives as a novel class of potent, orally active, non-peptide luteinizing hormone-releasing hormone receptor antagonists. J Med Chem 49:3809-25 (2006) [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:
BDBM50189708
Synonyms:
(S)-1-((S)-2-((S)-2-(2-((S)-2-((S)-2-((S)-2-((S)-3-(1H-imidazol-5-yl)-2-((S)-2-oxopyrrolidine-5-carboxamido)propanamido)-3-(1H-indol-2-yl)propanamido)-3-hydroxypropanamido)-3-(4-hydroxyphenyl)propanamido)acetamido)-4-methylpentanamido)-5-(diaminomethylene | CHEMBL438652
Type:
Small organic molecule
Emp. Form.:
C53H72N16O12
Mol. Mass.:
1125.2388
SMILES:
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cc2ccccc2[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(N)=O |wU:12.21,44.54,wD:30.43,4.4,54.57,63.67,24.27,77.83,(.86,.61,;2.37,.33,;2.89,-1.12,;3.37,1.5,;4.88,1.23,;5.88,2.4,;5.36,3.85,;3.85,4.13,;6.36,5.02,;5.85,6.47,;6.84,7.66,;8.36,7.37,;6.33,9.1,;7.32,10.28,;8.84,10,;9.35,8.55,;10.86,8.27,;11.86,9.45,;13.38,9.16,;11.34,10.9,;9.83,11.17,;4.81,9.39,;4.3,10.83,;5.29,12,;2.78,11.11,;1.78,9.93,;.27,10.22,;2.26,12.57,;.75,12.83,;-.25,11.67,;.23,14.29,;-1.28,14.58,;-2.28,13.4,;-3.82,13.5,;-4.4,12.09,;-5.85,11.56,;-6.12,10.06,;-4.94,9.06,;-3.5,9.58,;-3.23,11.09,;-1.92,11.9,;1.23,15.47,;.71,16.91,;-.8,17.19,;1.71,18.09,;3.23,17.81,;4.22,18.98,;3.86,20.47,;5.17,21.28,;6.35,20.29,;5.76,18.87,;1.2,19.53,;-.32,19.81,;-1.32,18.64,;-.84,21.27,;-2.31,21.71,;-2.36,23.25,;-.91,23.76,;-.47,25.24,;.03,22.54,;5.4,-.22,;4.4,-1.4,;6.91,-.5,;7.43,-1.95,;6.43,-3.13,;6.95,-4.58,;5.95,-5.75,;6.47,-7.2,;5.47,-8.37,;5.99,-9.82,;3.96,-8.1,;8.95,-2.23,;9.94,-1.06,;9.46,-3.68,;8.6,-4.96,;9.54,-6.18,;10.99,-5.66,;10.95,-4.12,;12.17,-3.18,;13.59,-3.77,;11.96,-1.66,)|
Structure:
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