Reaction Details Report a problem with these data
Target
Growth hormone secretagogue receptor type 1
Ligand
BDBM50163757
Substrate
n/a
Meas. Tech.
ChEMBL_72514 (CHEMBL685179)
IC50
>10000±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:
BDBM50163757
Synonyms:
CHEMBL428282 | Des-acyl ghrelin
Type:
Small organic molecule
Emp. Form.:
C141H235N47O41
Mol. Mass.:
3244.6649
SMILES:
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CN)C(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:171.183,157.163,150.152,111.120,107.109,78.87,60.67,45.52,36.43,17.17,89.96,131.140,4.4,wD:163.171,141.149,122.129,69.76,54.58,29.29,22.21,8.13,202.206,214.220,218.223,182.189,188.195,98.105,(38.25,-29.18,;38.01,-30.71,;39.22,-31.66,;36.59,-31.27,;36.35,-32.78,;34.9,-33.32,;33.69,-32.38,;33.91,-30.85,;32.25,-32.94,;32.02,-34.46,;33.22,-35.42,;32.99,-36.95,;34.19,-37.9,;33.95,-39.43,;31.05,-31.98,;29.62,-32.54,;29.38,-34.05,;28.41,-31.57,;28.65,-30.06,;26.98,-32.13,;25.78,-31.17,;26.01,-29.65,;24.34,-31.73,;24.2,-33.27,;22.51,-33.36,;21.92,-31.79,;23.22,-30.74,;23.26,-29.2,;24.61,-28.45,;21.99,-28.32,;20.62,-29.08,;19.61,-27.73,;20.57,-26.36,;22.17,-26.82,;23.45,-26,;24.84,-26.7,;23.38,-24.47,;24.68,-23.64,;26.04,-24.34,;26.12,-25.87,;27.5,-26.57,;27.57,-28.1,;22,-23.77,;21.92,-22.21,;20.57,-21.52,;23.22,-21.39,;24.59,-22.11,;25.9,-21.26,;27.25,-21.95,;28.56,-21.13,;29.92,-21.82,;23.14,-19.84,;24.42,-19.01,;25.8,-19.72,;24.34,-17.46,;22.99,-16.77,;21.7,-17.59,;25.63,-16.64,;25.56,-15.09,;24.2,-14.38,;26.85,-14.26,;28.22,-14.97,;29.53,-14.13,;30.88,-14.84,;30.97,-16.35,;32.19,-13.99,;26.77,-12.71,;28.05,-11.88,;29.43,-12.59,;27.97,-10.33,;26.62,-9.64,;26.55,-8.11,;25.17,-7.4,;25.1,-5.88,;23.72,-5.16,;29.25,-9.51,;29.18,-7.96,;27.83,-7.25,;30.48,-7.13,;31.85,-7.84,;33.15,-7,;34.51,-7.71,;35.82,-6.86,;37.17,-7.56,;37.24,-9.08,;38.48,-6.73,;30.4,-5.61,;29.02,-4.9,;27.74,-5.72,;28.94,-3.37,;30.24,-2.54,;31.6,-3.23,;32.92,-2.39,;32.84,-.84,;34.26,-3.09,;27.59,-2.64,;27.47,-1.1,;28.78,-.26,;26.1,-.39,;24.81,-1.22,;23.45,-.52,;22.14,-1.36,;22.22,-2.91,;20.78,-.67,;26.02,1.15,;24.65,1.86,;23.35,1.04,;24.57,3.38,;23.21,4.08,;21.9,3.24,;21.98,1.73,;20.56,3.95,;20.48,5.49,;19.1,6.2,;19.03,7.72,;17.65,8.43,;17.57,9.96,;18.86,10.8,;16.2,10.7,;19.24,3.1,;17.88,3.8,;17.82,5.36,;16.59,2.97,;16.65,1.44,;15.37,.62,;15.44,-.94,;16.83,-1.65,;14.16,-1.77,;15.23,3.66,;13.93,2.82,;13.99,1.3,;12.57,3.52,;12.49,5.07,;13.77,5.89,;13.85,7.43,;15.33,7.83,;16.16,6.56,;15.21,5.35,;11.28,2.68,;9.92,3.39,;9.85,4.95,;8.6,2.56,;8.67,1.03,;10.07,.31,;10.14,-1.2,;8.85,-2.02,;11.52,-1.92,;7.25,3.26,;5.94,2.43,;6.02,.89,;4.59,3.13,;4.57,4.67,;2.92,4.92,;2.19,3.42,;3.37,2.23,;3.26,.71,;4.56,-.09,;1.9,-.04,;.59,.76,;.63,2.27,;1.87,-1.58,;.53,-2.32,;-.79,-1.51,;.49,-3.85,;1.81,-4.66,;3.15,-3.92,;4.46,-4.71,;3.18,-2.38,;-.87,-4.59,;-.9,-6.13,;.42,-6.93,;-2.25,-6.88,;-3.56,-6.08,;-3.53,-4.54,;-2.19,-3.81,;-2.16,-2.27,;-3.47,-1.49,;-4.82,-2.22,;-4.84,-3.75,;-2.27,-8.42,;-3.62,-9.16,;-4.94,-8.38,;-3.64,-10.7,;-2.32,-11.49,;-.98,-10.74,;-4.98,-11.45,;-6.52,-11.47,;-7.31,-10.13,;-7.29,-12.81,;-6.5,-14.14,;-4.95,-14.13,;-8.83,-12.83,;-9.59,-14.17,;-8.8,-15.5,;-11.13,-14.19,;-11.89,-15.53,;25.88,4.22,;25.81,5.77,;27.23,3.53,;37.55,-33.75,;37.32,-35.26,;38.99,-33.19,;40.19,-34.15,;39.96,-35.67,;38.52,-36.23,;38.29,-37.76,;36.85,-38.32,;39.49,-38.71,;41.63,-33.59,;41.85,-32.08,;42.83,-34.56,;42.88,-36.23,;44.48,-36.71,;45.43,-35.33,;44.29,-34.27,;44.72,-32.78,;43.65,-31.69,;46.21,-32.42,;46.64,-30.94,;48.14,-30.58,;49.21,-31.67,;50.7,-31.31,;51.77,-32.4,;53.26,-32.04,;53.69,-30.55,;54.33,-33.14,;45.57,-29.83,;44.08,-30.18,;46,-28.36,)|
Structure:
Search PDB for entries with ligand similarity: