Reaction Details Report a problem with these data
Target
Growth hormone secretagogue receptor type 1
Ligand
BDBM50267261
Substrate
n/a
Meas. Tech.
ChEMBL_72514 (CHEMBL685179)
IC50
0.120000±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:
BDBM50267261
Synonyms:
CHEMBL525994
Type:
Small organic molecule
Emp. Form.:
C153H251N47O42
Mol. Mass.:
3420.9197
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)CC12CC3CC(CC(C3)C1)C2)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:163.171,141.149,122.129,69.76,54.58,29.29,22.21,8.13,215.222,227.236,231.239,182.205,201.211,98.105,TLB:187:188:191:195.193.194,THB:196:194:191:197.188.189,196:188:191:195.193.194,193:192:189:195.194.196,193:194:191.192.197:189,(41.29,-28.01,;41,-29.53,;42.17,-30.52,;39.55,-30.03,;39.25,-31.53,;37.79,-32.01,;36.61,-31.03,;36.89,-29.51,;35.15,-31.53,;34.87,-33.05,;36.03,-34.04,;35.74,-35.56,;36.91,-36.56,;36.61,-38.08,;33.99,-30.53,;32.54,-31.03,;32.25,-32.53,;31.37,-30.02,;31.67,-28.52,;29.92,-30.52,;28.76,-29.52,;29.04,-28.01,;27.3,-30.03,;27.1,-31.56,;25.41,-31.58,;24.88,-29.99,;26.22,-28.99,;26.32,-27.46,;27.69,-26.76,;25.08,-26.53,;23.69,-27.23,;22.73,-25.85,;23.74,-24.51,;25.32,-25.04,;26.63,-24.27,;27.99,-25.02,;26.62,-22.74,;27.95,-21.96,;29.29,-22.7,;29.3,-24.23,;30.65,-24.99,;30.67,-26.52,;25.26,-21.99,;25.25,-20.42,;23.93,-19.68,;26.57,-19.65,;27.92,-20.42,;29.26,-19.63,;30.58,-20.37,;31.92,-19.59,;33.25,-20.34,;26.55,-18.11,;27.87,-17.32,;29.21,-18.09,;27.85,-15.77,;26.52,-15.03,;25.21,-15.78,;29.16,-15,;29.16,-13.45,;27.82,-12.7,;30.47,-12.67,;31.82,-13.44,;33.15,-12.64,;34.48,-13.4,;34.52,-14.89,;35.82,-12.61,;30.45,-11.12,;31.76,-10.34,;33.11,-11.1,;31.74,-8.79,;30.42,-8.04,;30.41,-6.51,;29.06,-5.76,;29.04,-4.23,;27.7,-3.46,;33.06,-8.02,;33.04,-6.47,;31.72,-5.71,;34.37,-5.69,;35.71,-6.45,;37.04,-5.66,;38.37,-6.42,;39.72,-5.63,;41.03,-6.37,;41.05,-7.9,;42.38,-5.59,;34.35,-4.17,;33,-3.4,;31.69,-4.17,;32.98,-1.87,;34.31,-1.09,;35.64,-1.84,;36.98,-1.04,;36.97,.5,;38.3,-1.8,;31.66,-1.08,;31.6,.46,;32.94,1.26,;30.26,1.23,;28.94,.45,;27.61,1.21,;26.27,.41,;26.29,-1.14,;24.94,1.16,;30.24,2.77,;28.9,3.53,;27.57,2.76,;28.88,5.05,;27.55,5.81,;26.21,5.02,;26.22,3.5,;24.89,5.77,;24.87,7.32,;23.52,8.07,;23.5,9.59,;22.16,10.38,;22.14,11.89,;23.45,12.67,;20.79,12.68,;23.55,4.98,;22.21,5.73,;22.21,7.29,;20.89,4.95,;20.9,3.42,;19.58,2.65,;19.6,1.08,;20.95,.33,;18.28,.31,;19.55,5.69,;18.23,4.9,;18.23,3.38,;16.89,5.66,;16.88,7.18,;18.19,7.98,;18.32,9.5,;19.82,9.84,;20.6,8.56,;19.61,7.39,;15.57,4.87,;14.22,5.61,;14.21,7.17,;12.88,4.84,;12.89,3.3,;14.25,2.54,;14.27,1.02,;12.95,.26,;15.62,.25,;11.55,5.59,;10.21,4.81,;10.23,3.27,;8.89,5.56,;8.93,7.08,;7.29,7.4,;6.5,5.94,;7.64,4.71,;7.47,3.2,;8.74,2.35,;6.08,2.5,;4.81,3.35,;4.91,4.87,;5.99,.96,;4.62,.28,;3.34,1.13,;4.53,-1.26,;5.82,-2.11,;7.19,-1.43,;8.47,-2.26,;7.27,.11,;3.15,-1.94,;3.05,-3.48,;4.34,-4.33,;1.68,-4.17,;.4,-3.32,;.49,-1.79,;1.85,-1.11,;1.94,.43,;.66,1.26,;-.71,.57,;-.79,-.95,;1.6,-5.71,;.23,-6.4,;-1.06,-5.57,;.14,-7.94,;1.43,-8.78,;2.8,-8.08,;4.09,-8.91,;4.01,-10.45,;5.84,-8.12,;7.4,-9.26,;6.88,-10.96,;8.38,-12.05,;8.78,-14.2,;9.47,-12.38,;11.07,-11.38,;10.54,-9.42,;9.85,-11.08,;9.01,-8.28,;7.87,-11.21,;-1.23,-8.64,;-2.76,-8.59,;-3.5,-7.23,;-3.58,-9.91,;-2.84,-11.26,;-1.29,-11.31,;-5.12,-9.87,;-5.93,-11.18,;-5.19,-12.53,;-7.47,-11.13,;-8.28,-12.44,;30.21,5.84,;30.2,7.4,;31.54,5.1,;40.42,-32.54,;40.13,-34.05,;41.87,-32.04,;43.04,-33.04,;42.75,-34.56,;41.29,-35.06,;41.01,-36.58,;39.55,-37.08,;42.17,-37.58,;44.5,-32.54,;44.78,-31.04,;45.66,-33.55,;45.64,-35.22,;47.23,-35.76,;48.23,-34.42,;47.13,-33.32,;47.62,-31.85,;46.59,-30.72,;49.12,-31.55,;49.61,-30.08,;51.11,-29.78,;52.14,-30.91,;53.65,-30.61,;54.67,-31.74,;56.18,-31.43,;56.66,-29.96,;57.2,-32.58,;48.58,-28.93,;47.07,-29.23,;49.06,-27.48,)|
Structure:
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