Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Growth hormone secretagogue receptor type 1
Ligand
BDBM50267264
Substrate
n/a
Meas. Tech.
ChEMBL_72514 (CHEMBL685179)
IC50
0.420000±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 More Info.:
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:
BDBM50267264
Synonyms:
CHEMBL504776
Type:
Small organic molecule
Emp. Form.:
C149H250N48O41
Mol. Mass.:
3369.8763
SMILES:
CCCCCCCC(=O)NC[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:26.25,45.45,54.56,86.88,97.99,122.124,142.144,157.159,166.168,189.194,113.115,67.68,203.207,wD:37.37,58.59,77.79,133.135,151.153,178.182,185.190,194.198,211.215,223.229,227.232,11.11,15.17,104.106,(9.83,-8.53,;9.87,-6.99,;8.56,-6.19,;7.2,-6.92,;5.89,-6.11,;4.54,-6.84,;3.23,-6.03,;1.87,-6.76,;1.83,-8.3,;.56,-5.95,;-.79,-6.68,;-2.1,-5.87,;-3.46,-6.61,;-4.99,-6.6,;-5.76,-5.25,;-5.78,-7.93,;-5.01,-9.27,;-3.46,-9.28,;-7.32,-7.93,;-8.1,-9.26,;-7.33,-10.6,;-9.64,-9.26,;-10.42,-10.59,;-2.05,-4.33,;-3.36,-3.53,;-.7,-3.61,;-.65,-2.07,;-1.95,-1.25,;-1.9,.29,;-.55,1,;-.5,2.54,;-1.8,3.34,;-3.16,2.62,;-3.2,1.1,;.7,-1.34,;2.01,-2.16,;.76,.2,;2.13,.92,;3.44,.09,;4.79,.81,;6.09,0,;4.84,2.35,;2.19,2.46,;.88,3.28,;3.54,3.17,;3.73,4.7,;2.51,5.63,;2.71,7.16,;5.16,5.31,;6.37,4.38,;5.42,6.81,;4.37,8.12,;5.25,9.52,;6.87,9.09,;6.73,7.58,;8,6.74,;7.92,5.2,;9.39,7.43,;10.67,6.6,;10.58,5.07,;11.89,4.21,;11.81,2.69,;10.44,2.02,;13.11,1.84,;12.06,7.29,;12.15,8.84,;13.36,6.46,;14.73,7.15,;14.82,8.68,;16.18,9.39,;16.41,10.9,;17.92,11.15,;18.63,9.81,;17.56,8.71,;16.02,6.31,;15.92,4.79,;17.39,7.01,;18.68,6.18,;18.59,4.65,;17.23,3.97,;17.14,2.41,;18.44,1.57,;15.78,1.72,;20.05,6.88,;20.15,8.44,;21.34,6.05,;22.73,6.75,;22.81,8.3,;21.52,9.14,;21.59,10.67,;20.3,11.53,;20.38,13.04,;21.74,13.73,;19.09,13.92,;24,5.91,;23.92,4.39,;25.39,6.61,;26.67,5.77,;28.05,6.48,;28.15,8.03,;29.33,5.65,;26.59,4.25,;25.21,3.57,;27.88,3.41,;27.8,1.87,;26.43,1.17,;25.15,2.01,;23.76,1.31,;23.68,-.24,;22.48,2.14,;29.09,1.01,;30.48,1.72,;29.05,-.53,;30.31,-1.41,;31.69,-.72,;32.97,-1.55,;34.37,-.84,;34.45,.71,;35.63,-1.69,;30.23,-2.94,;28.87,-3.62,;31.53,-3.79,;31.45,-5.31,;32.75,-6.16,;34.12,-5.46,;35.4,-6.3,;36.8,-5.6,;38.07,-6.42,;37.98,-7.95,;39.46,-5.73,;30.08,-6.01,;28.81,-5.16,;29.99,-7.55,;28.63,-8.24,;27.35,-7.41,;27.44,-5.88,;26.15,-5.04,;26.23,-3.51,;24.93,-2.66,;28.55,-9.79,;29.84,-10.64,;27.19,-10.49,;27.1,-12.03,;28.4,-12.89,;29.78,-12.18,;31.06,-13.03,;31,-14.51,;32.45,-12.32,;25.74,-12.73,;24.46,-11.89,;25.64,-14.28,;24.28,-14.96,;23.01,-14.13,;21.65,-14.8,;24.2,-16.51,;25.5,-17.36,;22.84,-17.21,;22.76,-18.76,;24.05,-19.61,;25.45,-18.91,;26.71,-19.73,;28.11,-19.04,;29.39,-19.87,;21.39,-19.44,;20.11,-18.61,;21.3,-21,;22.6,-21.84,;23.99,-21.15,;25.27,-21.98,;25.19,-23.51,;26.49,-24.35,;26.41,-25.88,;22.51,-23.37,;23.83,-24.21,;21.15,-24.06,;19.62,-23.43,;18.52,-24.69,;19.39,-26.14,;20.82,-25.53,;22,-26.54,;23.42,-25.93,;21.8,-28.06,;20.4,-28.97,;20.82,-30.6,;22.51,-30.69,;22.81,-29.17,;24.3,-28.76,;24.68,-27.26,;25.4,-29.83,;26.88,-29.42,;27.27,-27.94,;27.98,-30.51,;27.59,-31.99,;29.46,-30.1,;30.56,-31.18,;30.18,-32.67,;31.27,-33.75,;30.88,-35.24,;31.99,-36.32,;31.59,-37.81,;32.05,-30.77,;32.43,-29.27,;33.16,-31.83,;34.65,-31.44,;35.05,-29.96,;36.52,-29.55,;36.92,-28.06,;37.63,-30.63,;35.75,-32.53,;35.37,-34.01,;37.24,-32.12,;38.33,-33.2,;37.95,-34.7,;36.46,-35.1,;36.08,-36.6,;34.59,-37.01,;37.17,-37.67,;39.82,-32.79,;40.2,-31.31,;40.92,-33.88,;40.8,-35.55,;42.34,-36.19,;43.43,-34.92,;42.41,-33.74,;42.98,-32.31,;42.03,-31.11,;44.51,-32.1,;45.09,-30.67,;46.61,-30.46,;47.56,-31.66,;49.09,-31.45,;50.04,-32.65,;51.57,-32.44,;52.14,-31.01,;52.52,-33.66,;44.14,-29.46,;42.61,-29.65,;44.71,-28.04,)|
Structure:
