Reaction Details Report a problem with these data
Target
Growth hormone secretagogue receptor type 1
Ligand
BDBM50267265
Substrate
n/a
Meas. Tech.
ChEMBL_563165 (CHEMBL964269)
IC50
9600±n/a nM
Citation
 Rosita, D; Dewit, MA; Luyt, LG Fluorine and rhenium substituted ghrelin analogues as potential imaging probes for the growth hormone secretagogue receptor. J Med Chem 52:2196-203 (2009) [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:
BDBM50267265
Synonyms:
(4S)-4-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-hydroxypropanamido]-3-(heptanoyloxy)propanamido]-3-phenylpropanamido]-4-methylpentanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-4-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-3-carbamoyl-1-carboxypropyl]carbamoyl}propyl]carbamoyl}-2-methylpropyl]carbamoyl}butyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}butanoic acid | CHEMBL498956
Type:
Small organic molecule
Emp. Form.:
C75H118N22O24
Mol. Mass.:
1711.8724
SMILES:
CCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r,wU:44.44,53.55,85.87,96.98,25.24,112.114,66.67,wD:36.36,57.58,76.78,10.10,14.16,103.105,(12.1,-9.59,;10.51,-8.51,;8.78,-9.34,;7.19,-8.25,;5.45,-9.09,;3.86,-8,;2.13,-8.83,;2.09,-10.38,;.83,-8.03,;-.53,-8.76,;-1.84,-7.95,;-3.19,-8.68,;-4.73,-8.68,;-5.5,-7.33,;-5.52,-10.01,;-4.75,-11.35,;-3.2,-11.36,;-7.06,-10.01,;-7.84,-11.34,;-7.07,-12.68,;-9.38,-11.33,;-10.16,-12.66,;-1.79,-6.41,;-3.1,-5.61,;-.44,-5.69,;-.39,-4.15,;-1.69,-3.32,;-1.64,-1.78,;-.29,-1.08,;-.24,.46,;-1.54,1.27,;-2.9,.55,;-2.94,-.98,;.97,-3.41,;2.27,-4.24,;1.02,-1.88,;2.39,-1.16,;3.7,-1.98,;5.06,-1.27,;6.36,-2.07,;5.11,.27,;2.45,.38,;1.14,1.2,;3.81,1.1,;3.99,2.62,;2.77,3.56,;2.96,5.07,;5.42,3.23,;6.64,2.3,;5.69,4.74,;4.64,6.04,;5.51,7.45,;7.13,7.02,;6.99,5.5,;8.26,4.67,;8.18,3.13,;9.65,5.36,;10.93,4.52,;10.84,2.99,;12.16,2.13,;12.08,.62,;10.72,-.08,;13.37,-.24,;12.32,5.21,;12.41,6.77,;13.61,4.37,;14.99,5.07,;15.07,6.6,;16.43,7.3,;16.67,8.81,;18.18,9.05,;18.88,7.73,;17.81,6.62,;16.27,4.22,;16.18,2.71,;17.65,4.93,;18.93,4.1,;18.84,2.57,;17.48,1.89,;17.39,.32,;18.69,-.52,;16.03,-.36,;20.31,4.79,;20.41,6.35,;21.59,3.96,;22.98,4.67,;23.06,6.21,;21.77,7.05,;21.85,8.57,;20.55,9.43,;20.63,10.96,;21.99,11.65,;19.34,11.84,;24.25,3.82,;24.17,2.31,;25.64,4.53,;26.92,3.68,;28.31,4.39,;28.4,5.95,;29.58,3.56,;26.85,2.17,;25.47,1.49,;28.14,1.33,;28.04,-.21,;26.68,-.91,;25.39,-.06,;24,-.77,;23.92,-2.31,;22.72,.06,;29.33,-1.06,;30.72,-.35,;29.27,-2.6,;30.55,-3.45,;31.93,-2.76,;33.21,-3.59,;34.61,-2.88,;34.69,-1.34,;35.87,-3.73,;30.47,-4.98,;31.77,-5.84,;29.11,-5.67,)|
Structure:
Search PDB for entries with ligand similarity: