Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50007448
Substrate
n/a
Meas. Tech.
ChEBML_48263
IC50
2.6±n/a nM
Citation
 Horwell, DC; Hughes, J; Hunter, JC; Pritchard, MC; Richardson, RS; Roberts, E; Woodruff, GN Rationally designed"dipeptoid" analogues of CCK. alpha-Methyltryptophan derivatives as highly selective and orally active gastrin and CCK-B antagonists with potent anxiolytic properties. J Med Chem 34:404-14 (1991) [PubMed]  Article 
Target
Name:
Gastrin/cholecystokinin type B receptor
Synonyms:
Cckbr | Cholecystokinin A | Cholecystokinin receptor | GASR_MOUSE | Gastrin/cholecystokinin type B receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
49196.59
Organism:
MOUSE
Description:
Cholecystokinin A CCKBR MOUSE::P56481
Residue:
453
Sequence:
MDLLKLNRSLQGPGPGSGSSLCRPGVSLLNSSSAGNLSCETPRIRGTGTRELELTIRITLYAVIFLMSVGGNVLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVICKAVSYLMGVSVSVSTLNLAAIALERYSAICRPLQARVWQTRSHAARVILATWLLSGLLMVPYPVYTVVQPVGPRILQCMHLWPSERVQQMWSVLLLILLFFIPGVVMAVAYGLISRELYLGLRFDGDNDSETQSRVRNQGGLPGGAAAPGPVHQNGGCRHVTSLTGEDSDGCYVQLPRSRLEMTTLTTPTTGPGPGPRPNQAKLLAKKRVVRMLLVIVLLFFVCWLPVYSANTWRAFDGPGARRALAGAPISFIHLLSYTSACANPLVYCFMHRRFRQACLDTCARCCPRPPRARPRPLPDEDPPTPSIASLSRLSYTTISTLGPG
  
Inhibitor
Name:
BDBM50007448
Synonyms:
CHEMBL131754 | N-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-3-phenyl-propyl}-malonamic acid
Type:
Small organic molecule
Emp. Form.:
C35H42N4O6
Mol. Mass.:
614.7312
SMILES:
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)CC(O)=O)Cc1ccccc1 |wU:19.27,17.29,29.33,1.0,wD:1.13,21.23,23.26,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:16.23.24:18,(17.95,-9.98,;17.85,-8.45,;17.85,-6.93,;18.94,-5.85,;18.03,-4.6,;18.94,-3.35,;20.41,-3.83,;21.73,-3.06,;23.07,-3.83,;23.07,-5.37,;21.73,-6.14,;20.41,-5.37,;16.53,-9.25,;15.19,-8.48,;15.18,-6.94,;13.86,-9.27,;12.32,-9.25,;11.34,-8.1,;9.92,-7.9,;9.25,-9.22,;7.6,-9.82,;9.12,-10.12,;10.12,-11.27,;11.61,-10.6,;10.2,-10.28,;9.85,-8.71,;19.2,-9.22,;20.51,-8.44,;19.2,-10.76,;20.54,-11.52,;20.57,-13.06,;19.23,-13.84,;19.25,-15.38,;20.58,-16.14,;17.91,-16.15,;16.59,-15.41,;15.25,-16.18,;16.57,-13.87,;21.88,-10.73,;23.21,-11.5,;23.21,-13.04,;24.55,-13.8,;25.87,-13,;25.87,-11.46,;24.52,-10.72,)|
Structure:
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