Reaction Details Report a problem with these data
Target
Growth hormone secretagogue receptor type 1
Ligand
BDBM50267950
Substrate
n/a
Meas. Tech.
ChEMBL_563165 (CHEMBL964269)
IC50
870±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:
BDBM50267950
Synonyms:
CHEMBL526723
Type:
Small organic molecule
Emp. Form.:
C157H265N47O42
Mol. Mass.:
3483.0737
SMILES:
CCCCCCCCCCCCCCCC(=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)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:53.53,62.64,94.96,105.107,130.132,150.152,165.167,174.176,197.202,34.33,121.123,75.76,211.215,wD:45.45,66.67,85.87,141.143,159.161,186.190,193.198,202.206,219.223,231.237,235.240,19.19,23.25,112.114,(8.99,-19.3,;9.02,-17.76,;10.36,-17.01,;10.38,-15.47,;11.73,-14.72,;11.75,-13.18,;10.43,-12.39,;9.09,-13.14,;7.76,-12.35,;6.42,-13.1,;5.1,-12.31,;3.75,-13.06,;2.43,-12.27,;1.08,-13.02,;-.24,-12.23,;-1.58,-12.98,;-1.61,-14.52,;-2.9,-12.19,;-4.25,-12.94,;-5.57,-12.15,;-6.91,-12.9,;-8.45,-12.92,;-9.24,-11.58,;-9.22,-14.26,;-8.43,-15.59,;-6.88,-15.58,;-10.76,-14.28,;-11.52,-15.62,;-10.73,-16.95,;-13.06,-15.64,;-13.82,-16.98,;-5.54,-10.61,;-6.86,-9.82,;-4.2,-9.87,;-4.17,-8.33,;-5.49,-7.52,;-5.46,-5.98,;-4.12,-5.25,;-4.09,-3.72,;-5.4,-2.93,;-6.75,-3.67,;-6.77,-5.2,;-2.83,-7.58,;-1.51,-8.38,;-2.79,-6.04,;-1.43,-5.3,;-.12,-6.1,;1.23,-5.37,;2.54,-6.16,;1.26,-3.83,;-1.4,-3.76,;-2.72,-2.96,;-.05,-3.03,;-.02,-1.49,;-1.33,-.68,;-1.29,.83,;1.33,-.73,;2.64,-1.53,;1.44,.79,;.26,1.98,;.99,3.48,;2.65,3.23,;2.67,1.68,;4.01,.99,;4.09,-.55,;5.32,1.81,;6.68,1.12,;6.75,-.42,;8.15,-1.13,;8.22,-2.65,;6.92,-3.46,;9.6,-3.37,;8,1.94,;7.93,3.51,;9.36,1.23,;10.65,2.08,;10.57,3.63,;11.85,4.45,;11.93,5.99,;13.41,6.39,;14.25,5.12,;13.29,3.91,;12.01,1.37,;12.07,-.14,;13.31,2.22,;14.67,1.52,;14.74,-.01,;13.45,-.83,;13.53,-2.39,;14.91,-3.09,;12.24,-3.21,;15.97,2.35,;15.9,3.92,;17.33,1.66,;18.64,2.5,;18.56,4.05,;17.19,4.75,;17.11,6.28,;15.73,6.99,;15.66,8.52,;16.94,9.34,;14.28,9.25,;19.99,1.8,;20.06,.28,;21.3,2.64,;22.66,1.93,;23.97,2.78,;23.9,4.32,;25.32,2.08,;22.74,.42,;21.44,-.4,;24.11,-.29,;24.18,-1.83,;22.9,-2.67,;21.54,-1.96,;20.23,-2.8,;20.3,-4.35,;18.86,-2.11,;25.56,-2.55,;26.87,-1.7,;25.67,-4.09,;27.03,-4.81,;28.33,-3.98,;29.69,-4.68,;31,-3.83,;30.93,-2.28,;32.35,-4.54,;27.11,-6.34,;25.83,-7.16,;28.49,-7.06,;28.56,-8.57,;29.94,-9.29,;31.24,-8.45,;32.6,-9.15,;33.91,-8.31,;35.26,-9,;35.34,-10.53,;36.57,-8.17,;27.27,-9.41,;25.92,-8.7,;27.34,-10.96,;26.06,-11.78,;24.7,-11.08,;24.64,-9.55,;23.26,-8.85,;23.18,-7.32,;21.81,-6.61,;26.14,-13.33,;27.51,-14.04,;24.85,-14.16,;24.93,-15.71,;26.31,-16.43,;27.61,-15.58,;28.97,-16.29,;29.06,-17.8,;30.28,-15.44,;23.65,-16.55,;22.29,-15.84,;23.71,-18.09,;22.43,-18.91,;21.07,-18.22,;19.78,-19.05,;22.51,-20.46,;23.88,-21.18,;21.22,-21.3,;21.3,-22.84,;22.68,-23.56,;23.99,-22.72,;25.34,-23.41,;26.65,-22.58,;28.01,-23.27,;20.01,-23.66,;18.66,-22.97,;20.08,-25.23,;21.46,-25.93,;22.77,-25.1,;24.13,-25.79,;24.21,-27.32,;25.58,-28.03,;25.66,-29.56,;21.53,-27.46,;22.92,-28.16,;20.25,-28.28,;18.66,-27.81,;17.7,-29.19,;18.7,-30.53,;20.07,-29.78,;21.34,-30.66,;22.69,-29.91,;21.31,-32.2,;20,-33.25,;20.59,-34.82,;22.28,-34.73,;22.42,-33.19,;23.87,-32.63,;24.09,-31.11,;25.07,-33.59,;26.5,-33.03,;26.73,-31.52,;27.71,-34,;27.47,-35.51,;29.13,-33.44,;30.33,-34.4,;30.11,-35.92,;31.31,-36.88,;31.08,-38.41,;32.28,-39.36,;32.04,-40.89,;31.78,-33.84,;32,-32.31,;32.99,-34.78,;34.43,-34.24,;34.68,-32.73,;36.1,-32.17,;36.34,-30.64,;37.31,-33.12,;35.64,-35.21,;35.41,-36.72,;37.08,-34.65,;38.28,-35.61,;38.05,-37.14,;36.61,-37.69,;36.38,-39.22,;34.94,-39.78,;37.58,-40.18,;39.72,-35.05,;39.94,-33.54,;40.92,-36.02,;40.97,-37.69,;42.57,-38.17,;43.53,-36.79,;42.39,-35.73,;42.81,-34.24,;41.74,-33.15,;44.31,-33.88,;44.74,-32.4,;46.23,-32.04,;47.3,-33.13,;48.8,-32.77,;49.87,-33.86,;51.36,-33.5,;51.79,-32.01,;52.43,-34.6,;43.67,-31.29,;42.17,-31.64,;44.09,-29.82,)|
Structure:
Search PDB for entries with ligand similarity: