Reaction Details Report a problem with these data
Target
Growth hormone secretagogue receptor type 1
Ligand
BDBM50422311
Substrate
n/a
Meas. Tech.
ChEMBL_72514 (CHEMBL685179)
IC50
0.980000±n/a nM
Citation
 Bednarek, MA; Feighner, SD; Pong, SS; McKee, KK; Hreniuk, DL; Silva, MV; Warren, VA; Howard, AD; Van Der Ploeg, LH; Heck, JV Structure-function studies on the new growth hormone-releasing peptide, ghrelin: minimal sequence of ghrelin necessary for activation of growth hormone secretagogue receptor 1a. J Med Chem 43:4370-6 (2000) [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:
BDBM50422311
Synonyms:
CHEMBL2310890
Type:
Small organic molecule
Emp. Form.:
C149H243N47O42
Mol. Mass.:
3364.8134
SMILES:
C\C=C\C=CC=CC(=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,w:5.4,3.2,wU:178.182,223.229,185.190,54.56,45.45,11.11,67.68,104.106,157.159,142.144,86.88,122.124,211.215,15.17,194.198,227.232,wD:97.99,151.153,26.25,58.59,37.37,166.168,77.79,113.115,133.135,203.207,189.194,(48.31,-12.34,;47.17,-11.31,;47.49,-9.8,;46.34,-8.77,;46.66,-7.27,;45.52,-6.24,;45.84,-4.73,;44.69,-3.7,;43.23,-4.18,;45.01,-2.19,;43.87,-1.16,;44.19,.34,;45.65,.82,;45.97,2.33,;44.83,3.36,;47.44,2.8,;48.58,1.77,;48.26,.26,;47.76,4.31,;49.22,4.78,;50.37,3.75,;49.54,6.29,;51.01,6.77,;43.04,1.37,;41.58,.9,;43.36,2.88,;42.22,3.91,;42.54,5.42,;41.4,6.45,;39.93,5.97,;38.79,7,;39.11,8.51,;40.57,8.98,;41.72,7.95,;40.76,3.43,;39.61,4.46,;40.44,1.93,;38.97,1.45,;37.83,2.48,;36.36,2.01,;36.04,.5,;35.22,3.04,;38.65,-.05,;39.8,-1.08,;37.19,-.53,;36.87,-2.04,;38.01,-3.07,;37.69,-4.57,;35.4,-2.51,;34.26,-1.48,;35.08,-4.02,;36.11,-5.16,;35.34,-6.5,;33.84,-6.18,;33.67,-4.65,;32.34,-3.88,;32.34,-2.34,;31.01,-4.65,;29.67,-3.88,;29.67,-2.34,;28.34,-1.57,;28.34,-.03,;29.67,.74,;27.01,.74,;28.34,-4.65,;28.34,-6.19,;27.01,-3.88,;25.67,-4.65,;25.67,-6.19,;24.34,-6.96,;22.93,-6.33,;21.9,-7.47,;22.67,-8.81,;24.18,-8.49,;24.34,-3.88,;24.34,-2.34,;23,-4.65,;21.67,-3.88,;21.67,-2.34,;23,-1.57,;23,-.03,;21.67,.74,;24.34,.74,;20.34,-4.65,;20.34,-6.19,;19,-3.88,;17.67,-4.65,;17.67,-6.19,;16.34,-6.96,;16.34,-8.5,;15,-9.27,;15,-10.81,;13.67,-11.58,;16.34,-11.58,;16.34,-3.88,;16.34,-2.34,;15,-4.65,;13.67,-3.88,;13.67,-2.34,;12.34,-1.57,;15,-1.57,;12.34,-4.65,;12.34,-6.19,;11,-3.88,;9.67,-4.65,;9.67,-6.19,;8.33,-6.96,;8.33,-8.5,;7,-9.27,;9.67,-9.27,;8.33,-3.88,;8.33,-2.34,;7,-4.65,;5.67,-3.88,;5.67,-2.34,;7,-1.57,;7,-.03,;5.67,.74,;8.33,.74,;4.33,-4.65,;4.33,-6.19,;3,-3.88,;1.67,-4.65,;1.67,-6.19,;.33,-6.96,;.33,-8.5,;1.67,-9.27,;1.67,-10.81,;3,-11.58,;.33,-11.58,;.33,-3.88,;.33,-2.34,;-1,-4.65,;-2.34,-3.88,;-2.34,-2.34,;-1,-1.57,;-1,-.03,;.33,.74,;.33,2.28,;-3.67,-4.65,;-3.67,-6.19,;-5,-3.88,;-6.34,-4.65,;-6.34,-6.19,;-7.67,-6.96,;-7.67,-8.5,;-9,-9.27,;-6.34,-9.27,;-7.67,-3.88,;-7.67,-2.34,;-9,-4.65,;-10.34,-3.88,;-10.34,-2.34,;-11.67,-1.57,;-11.67,-4.65,;-11.67,-6.19,;-13,-3.88,;-14.34,-4.65,;-14.34,-6.19,;-15.67,-6.96,;-15.67,-8.5,;-17.01,-9.27,;-17.01,-10.81,;-15.67,-3.88,;-15.67,-2.34,;-17.01,-4.65,;-18.34,-3.88,;-18.34,-2.34,;-17.01,-1.57,;-17.01,-.03,;-15.67,.74,;-15.67,2.28,;-19.67,-4.65,;-21.01,-3.88,;-19.67,-6.19,;-18.43,-7.09,;-18.9,-8.55,;-20.44,-8.55,;-20.92,-7.09,;-22.38,-6.61,;-22.7,-5.11,;-23.53,-7.64,;-23.37,-9.18,;-24.77,-9.8,;-25.8,-8.66,;-25.03,-7.32,;-25.66,-5.92,;-27.19,-5.76,;-24.76,-4.67,;-25.38,-3.26,;-24.48,-2.02,;-26.91,-3.1,;-27.82,-4.35,;-27.54,-1.7,;-29.07,-1.54,;-29.98,-2.78,;-29.35,-4.19,;-30.26,-5.43,;-29.63,-6.84,;-30.53,-8.09,;-29.7,-.13,;-28.79,1.12,;-31.23,.03,;-31.86,1.44,;-30.95,2.68,;-31.58,4.09,;-33.11,4.25,;-30.67,5.34,;-33.39,1.6,;-34.29,.35,;-34.01,3.01,;-35.55,3.17,;-36.45,1.92,;-37.98,2.08,;-38.89,.84,;-40.42,1,;-38.26,-.57,;-36.17,4.57,;-35.27,5.82,;-37.7,4.74,;-38.73,3.59,;-40.14,4.22,;-39.98,5.75,;-38.47,6.07,;-37.85,7.48,;-36.32,7.64,;-38.75,8.72,;-40.28,8.56,;-40.91,7.15,;-42.44,6.99,;-43.07,5.59,;-44.6,5.42,;-45.5,6.67,;-47.04,6.51,;-44.88,8.08,;-41.19,9.81,;-40.56,11.21,;-42.72,9.65,)|
Structure:
Search PDB for entries with ligand similarity: