Reaction Details Report a problem with these data
Target
Growth hormone secretagogue receptor type 1
Ligand
BDBM50161042
Substrate
n/a
Meas. Tech.
ChEMBL_306206 (CHEMBL830164)
IC50
860.0±n/a nM
Citation
 Xin, Z; Zhao, H; Serby, MD; Liu, B; Schaefer, VG; Falls, DH; Kaszubska, W; Colins, CA; Sham, HL; Liu, G Synthesis and structure-activity relationships of isoxazole carboxamides as growth hormone secretagogue receptor antagonists. Bioorg Med Chem Lett 15:1201-4 (2005) [PubMed]  Article 
Target
Name:
Growth hormone secretagogue receptor type 1
Synonyms:
GH-releasing peptide receptor | GHRP | GHS-R | GHSR | GHSR_HUMAN | Ghrelin Receptor (Growth Hormone Secretagogue Receptor Type 1) | Ghrelin receptor | Ghrelin receptor 1a (GHS-R1a)
Type:
Receptor
Mol. Mass.:
41334.57
Organism:
Homo sapiens (Human)
Description:
Receptor binding studies use plasma membranes from LLC PK-1 cells transiently transfected with hGHSR1a.
Residue:
366
Sequence:
MWNATPSEEPGFNLTLADLDWDASPGNDSLGDELLQLFPAPLLAGVTATCVALFVVGIAGNLLTMLVVSRFRELRTTTNLYLSSMAFSDLLIFLCMPLDLVRLWQYRPWNFGDLLCKLFQFVSESCTYATVLTITALSVERYFAICFPLRAKVVVTKGRVKLVIFVIWAVAFCSAGPIFVLVGVEHENGTDPWDTNECRPTEFAVRSGLLTVMVWVSSIFFFLPVFCLTVLYSLIGRKLWRRRRGDAVVGASLRDQNHKQTVKMLAVVVFAFILCWLPFHVGRYLFSKSFEPGSLEIAQISQYCNLVSFVLFYLSAAINPILYNIMSKKYRVAVFRLLGFEPFSQRKLSTLKDESSRAWTESSINT
  
Inhibitor
Name:
BDBM50161042
Synonyms:
3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid [2-(azepane-1-carbonyl)-phenyl]-amide | CHEMBL436275
Type:
Small organic molecule
Emp. Form.:
C24H23Cl2N3O3
Mol. Mass.:
472.364
SMILES:
Cc1onc(c1C(=O)Nc1ccccc1C(=O)N1CCCCCC1)-c1c(Cl)cccc1Cl |(-2.05,1.99,;-3,.78,;-4.53,.86,;-5.07,-.57,;-3.88,-1.52,;-2.6,-.68,;-1.14,-1.08,;-.74,-2.57,;-.05,,;1.44,-.38,;2.21,-1.68,;3.77,-1.68,;4.51,-.33,;3.72,.99,;2.19,.97,;2.19,2.5,;1.09,3.6,;3.26,3.6,;2.74,5.06,;3.56,6.36,;5.09,6.55,;6.19,5.46,;6.02,3.92,;4.72,3.09,;-3.79,-3.05,;-2.44,-3.75,;-.95,-4.16,;-2.35,-5.31,;-3.63,-6.14,;-5,-5.43,;-5.09,-3.91,;-6.47,-3.23,)|
Structure:
Search PDB for entries with ligand similarity: