Reaction Details Report a problem with these data
Target
Growth hormone secretagogue receptor type 1
Ligand
BDBM50267262
Substrate
n/a
Meas. Tech.
ChEMBL_72514 (CHEMBL685179)
IC50
0.080000±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:
BDBM50267262
Synonyms:
CHEMBL501253
Type:
Small organic molecule
Emp. Form.:
C149H248BrN47O42
Mol. Mass.:
3449.757
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](COC(=O)CCCCCCCBr)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:163.171,141.149,122.129,69.76,54.58,29.29,22.21,8.13,212.216,224.230,228.233,182.199,198.205,98.105,(40.77,-32.54,;40.37,-34.04,;41.48,-35.11,;38.9,-34.45,;38.5,-35.92,;37.01,-36.31,;35.9,-35.25,;36.28,-33.75,;34.41,-35.66,;34.03,-37.15,;35.12,-38.23,;34.73,-39.72,;35.84,-40.79,;35.44,-42.29,;33.31,-34.58,;31.84,-34.99,;31.44,-36.47,;30.74,-33.9,;31.12,-32.42,;29.25,-34.31,;28.16,-33.24,;28.54,-31.74,;26.67,-33.65,;26.37,-35.17,;24.68,-35.08,;24.26,-33.45,;25.66,-32.54,;25.86,-31.02,;27.27,-30.41,;24.68,-30.01,;23.25,-30.62,;22.38,-29.18,;23.48,-27.91,;25.01,-28.54,;26.37,-27.86,;27.68,-28.7,;26.46,-26.33,;27.84,-25.64,;29.13,-26.47,;29.05,-28,;30.34,-28.84,;30.26,-30.36,;25.16,-25.49,;25.25,-23.93,;23.97,-23.1,;26.62,-23.24,;27.91,-24.1,;29.3,-23.39,;30.57,-24.22,;31.96,-23.53,;33.24,-24.36,;26.7,-21.7,;28.06,-21,;29.35,-21.85,;28.14,-19.45,;26.86,-18.62,;25.51,-19.29,;29.5,-18.77,;29.6,-17.22,;28.32,-16.38,;30.96,-16.52,;32.25,-17.38,;33.64,-16.67,;34.91,-17.52,;34.86,-19,;36.3,-16.81,;31.04,-14.98,;32.4,-14.28,;33.7,-15.13,;32.48,-12.73,;31.21,-11.9,;31.3,-10.38,;30,-9.54,;30.08,-8.01,;28.79,-7.15,;33.84,-12.05,;33.93,-10.5,;32.66,-9.66,;35.3,-9.81,;36.6,-10.66,;37.97,-9.95,;39.25,-10.8,;40.65,-10.09,;41.91,-10.92,;41.83,-12.45,;43.3,-10.23,;35.38,-8.29,;34.09,-7.44,;32.73,-8.12,;34.17,-5.91,;35.54,-5.22,;36.82,-6.05,;38.22,-5.34,;38.3,-3.79,;39.48,-6.18,;32.9,-5.03,;32.94,-3.49,;34.33,-2.78,;31.65,-2.63,;30.29,-3.33,;29.01,-2.49,;27.61,-3.19,;27.53,-4.74,;26.33,-2.36,;31.73,-1.09,;30.44,-.25,;29.07,-.93,;30.52,1.27,;29.24,2.11,;27.85,1.41,;27.77,-.11,;26.58,2.25,;26.67,3.8,;25.37,4.63,;25.45,6.15,;24.16,7.01,;24.23,8.53,;25.6,9.21,;22.94,9.41,;25.19,1.54,;23.91,2.37,;24.01,3.93,;22.53,1.68,;22.45,.15,;21.08,-.53,;21,-2.09,;22.3,-2.93,;19.64,-2.77,;21.25,2.51,;19.88,1.8,;19.78,.29,;18.59,2.65,;18.68,4.18,;20.04,4.88,;20.27,6.39,;21.78,6.63,;22.49,5.31,;21.42,4.2,;17.22,1.96,;15.92,2.78,;16.01,4.34,;14.53,2.09,;14.44,.56,;15.75,-.29,;15.68,-1.81,;14.3,-2.48,;16.97,-2.66,;13.25,2.93,;11.87,2.24,;11.79,.7,;10.6,3.07,;10.73,4.59,;9.12,5.02,;8.24,3.61,;9.29,2.31,;9.02,.81,;10.24,-.12,;7.6,.2,;6.38,1.13,;6.58,2.65,;7.41,-1.33,;6.05,-2.04,;4.75,-1.22,;6,-3.58,;7.3,-4.4,;8.66,-3.69,;9.96,-4.5,;8.71,-2.15,;4.63,-4.3,;4.57,-5.84,;5.88,-6.66,;3.22,-6.57,;1.92,-5.75,;1.97,-4.21,;3.32,-3.5,;3.37,-1.96,;2.07,-1.16,;.71,-1.88,;.67,-3.4,;3.17,-8.11,;1.82,-8.83,;.51,-8.03,;1.77,-10.37,;3.08,-11.18,;4.43,-10.45,;5.74,-11.25,;5.7,-12.79,;7.47,-10.42,;9.06,-11.51,;10.79,-10.67,;12.38,-11.76,;14.11,-10.93,;15.7,-12.01,;17.44,-11.18,;19.02,-12.26,;.42,-11.1,;-1.12,-11.09,;-1.89,-9.75,;-1.91,-12.43,;-1.14,-13.77,;.41,-13.77,;-3.45,-12.42,;-4.23,-13.75,;-3.46,-15.09,;-5.77,-13.75,;-6.55,-15.08,;31.91,1.97,;32,3.53,;33.18,1.14,;39.6,-37.01,;39.22,-38.49,;41.09,-36.6,;42.18,-37.68,;41.8,-39.17,;40.31,-39.58,;39.93,-41.08,;38.44,-41.48,;41.03,-42.15,;43.67,-37.27,;44.05,-35.79,;44.77,-38.36,;44.64,-40.03,;46.19,-40.66,;47.28,-39.39,;46.25,-38.22,;46.83,-36.79,;45.88,-35.59,;48.36,-36.58,;48.93,-35.15,;50.46,-34.95,;51.41,-36.14,;52.93,-35.93,;53.88,-37.13,;55.41,-36.92,;55.98,-35.49,;56.36,-38.13,;47.98,-33.94,;46.46,-34.13,;48.56,-32.52,)|
Structure:
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