Reaction Details Report a problem with these data
Target
Growth hormone secretagogue receptor type 1
Ligand
BDBM50267263
Substrate
n/a
Meas. Tech.
ChEMBL_563165 (CHEMBL964269)
IC50
>2000000±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:
BDBM50267263
Synonyms:
CHEMBL509512
Type:
Small organic molecule
Emp. Form.:
C148H248N48O42
Mol. Mass.:
3371.8491
SMILES:
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](COC(=O)CCCCCCN)NC(=O)[C@H](CO)NC(=O)CN)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:8.16,45.45,54.56,86.88,97.99,122.124,142.144,157.159,166.168,189.194,113.115,67.68,203.207,wD:4.4,58.59,77.79,133.135,151.153,178.182,185.190,194.198,211.215,223.229,227.232,19.31,34.37,104.106,(6.39,-6.67,;5.09,-5.86,;5.14,-4.32,;3.74,-6.58,;2.43,-5.75,;1.06,-6.47,;1,-8.01,;2.31,-8.83,;-.35,-8.74,;-1.65,-7.92,;-1.6,-6.38,;-.25,-5.67,;-.2,-4.13,;-1.5,-3.33,;-2.86,-4.05,;-2.9,-5.57,;-.4,-10.28,;-1.75,-11,;-3.06,-10.2,;-1.8,-12.54,;-.49,-13.35,;.86,-12.62,;2.17,-13.42,;2.13,-14.96,;3.9,-12.59,;5.49,-13.68,;7.22,-12.84,;8.81,-13.93,;10.54,-13.1,;12.13,-14.18,;13.87,-13.35,;-3.15,-13.27,;-4.69,-13.27,;-5.46,-11.92,;-5.48,-14.6,;-4.71,-15.94,;-3.16,-15.95,;-7.02,-14.59,;-7.8,-15.92,;-7.03,-17.26,;-9.34,-15.92,;-10.12,-17.25,;2.49,-4.21,;1.18,-3.39,;3.84,-3.5,;4.03,-1.97,;2.81,-1.04,;3.01,.48,;5.45,-1.36,;6.67,-2.29,;5.72,.14,;4.67,1.44,;5.55,2.85,;7.17,2.42,;7.03,.9,;8.3,.07,;8.22,-1.47,;9.68,.76,;10.96,-.07,;10.88,-1.61,;12.19,-2.46,;12.11,-3.98,;10.73,-4.65,;13.4,-4.83,;12.35,.61,;12.44,2.17,;13.65,-.21,;15.03,.48,;15.11,2.01,;16.47,2.71,;16.7,4.22,;18.21,4.46,;18.92,3.14,;17.85,2.03,;16.31,-.36,;16.21,-1.88,;17.68,.34,;18.97,-.49,;18.88,-2.02,;17.52,-2.7,;17.43,-4.26,;18.73,-5.1,;16.07,-4.94,;20.34,.2,;20.44,1.76,;21.62,-.62,;23.02,.08,;23.1,1.63,;21.8,2.46,;21.88,3.98,;20.59,4.84,;20.67,6.36,;22.03,7.04,;19.37,7.24,;24.28,-.76,;24.2,-2.28,;25.67,-.06,;26.96,-.9,;28.34,-.2,;28.43,1.36,;29.61,-1.02,;26.88,-2.42,;25.5,-3.1,;28.16,-3.26,;28.08,-4.8,;26.72,-5.5,;25.44,-4.66,;24.05,-5.36,;23.97,-6.91,;22.76,-4.53,;29.38,-5.66,;30.76,-4.95,;29.34,-7.2,;30.6,-8.08,;31.98,-7.39,;33.26,-8.22,;34.65,-7.51,;34.73,-5.96,;35.92,-8.35,;30.52,-9.61,;29.16,-10.29,;31.81,-10.46,;31.74,-11.98,;33.03,-12.83,;34.41,-12.12,;35.69,-12.97,;37.08,-12.26,;38.35,-13.09,;38.27,-14.62,;39.74,-12.4,;30.36,-12.67,;29.09,-11.83,;30.28,-14.22,;28.92,-14.9,;27.64,-14.07,;27.73,-12.55,;26.43,-11.71,;26.51,-10.18,;25.22,-9.32,;28.83,-16.45,;30.13,-17.3,;27.47,-17.15,;27.39,-18.7,;28.69,-19.55,;30.07,-18.84,;31.34,-19.69,;31.29,-21.18,;32.74,-18.98,;26.03,-19.4,;24.75,-18.55,;25.93,-20.94,;24.57,-21.62,;23.3,-20.8,;21.94,-21.46,;24.49,-23.17,;25.79,-24.03,;23.13,-23.87,;23.05,-25.42,;24.34,-26.27,;25.73,-25.57,;27,-26.39,;28.39,-25.7,;29.67,-26.53,;21.68,-26.1,;20.4,-25.27,;21.59,-27.66,;22.89,-28.5,;24.28,-27.81,;25.56,-28.64,;25.48,-30.17,;26.77,-31.01,;26.69,-32.54,;22.8,-30.03,;24.12,-30.87,;21.44,-30.71,;19.91,-30.09,;18.81,-31.35,;19.68,-32.79,;21.11,-32.19,;22.29,-33.19,;23.71,-32.58,;22.09,-34.72,;20.69,-35.63,;21.11,-37.25,;22.8,-37.34,;23.1,-35.82,;24.59,-35.41,;24.97,-33.92,;25.69,-36.49,;27.17,-36.08,;27.56,-34.6,;28.27,-37.17,;27.88,-38.65,;29.75,-36.76,;30.84,-37.83,;30.46,-39.33,;31.56,-40.4,;31.17,-41.89,;32.27,-42.97,;31.87,-44.46,;32.33,-37.42,;32.71,-35.93,;33.45,-38.49,;34.94,-38.1,;35.33,-36.62,;36.81,-36.21,;37.2,-34.71,;37.91,-37.28,;36.04,-39.19,;35.65,-40.67,;37.52,-38.78,;38.62,-39.85,;38.23,-41.35,;36.74,-41.75,;36.36,-43.25,;34.87,-43.66,;37.46,-44.32,;40.11,-39.44,;40.49,-37.96,;41.2,-40.53,;41.08,-42.2,;42.62,-42.84,;43.71,-41.57,;42.69,-40.39,;43.27,-38.96,;42.32,-37.76,;44.79,-38.76,;45.37,-37.32,;46.89,-37.12,;47.84,-38.32,;49.37,-38.11,;50.32,-39.3,;51.84,-39.1,;52.42,-37.66,;52.79,-40.31,;44.42,-36.11,;42.89,-36.31,;44.99,-34.69,)|
Structure:
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