Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50007452
Substrate
n/a
Meas. Tech.
ChEBML_48263
IC50
170±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:
BDBM50007452
Synonyms:
CHEMBL130578 | N-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-3-phenyl-propyl}-succinamic acid
Type:
Small organic molecule
Emp. Form.:
C36H44N4O6
Mol. Mass.:
628.7578
SMILES:
CC(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)CCC(O)=O)Cc1ccccc1 |wU:21.28,17.19,wD:19.20,23.24,29.33,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(13.83,-9.63,;13.84,-8.09,;13.83,-6.56,;14.92,-5.47,;14,-4.24,;14.92,-2.98,;16.37,-3.47,;17.71,-2.67,;19.04,-3.44,;19.04,-5.01,;17.71,-5.78,;16.37,-5.01,;12.51,-8.87,;11.17,-8.12,;11.14,-6.58,;9.83,-8.9,;8.29,-8.89,;7.58,-10.23,;6.11,-10.89,;5.11,-9.75,;3.57,-9.44,;5.23,-8.86,;5.9,-7.52,;7.32,-7.71,;5.82,-8.34,;6.17,-9.89,;15.15,-8.86,;15.15,-10.4,;16.49,-8.06,;17.82,-8.83,;17.82,-10.37,;16.5,-11.14,;17.02,-12.61,;18.52,-12.88,;16.01,-13.77,;14.5,-13.49,;13.49,-14.66,;14,-16.12,;11.98,-14.38,;19.15,-8.06,;20.48,-8.83,;21.82,-8.05,;23.14,-8.8,;23.16,-10.36,;21.83,-11.14,;20.48,-10.37,)|
Structure:
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