Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50007441
Substrate
n/a
Meas. Tech.
ChEBML_48263
IC50
180±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:
BDBM50007441
Synonyms:
CHEMBL337461 | 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:21.28,17.19,29.33,wD:19.20,23.24,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(13.68,-12.84,;13.68,-11.3,;13.68,-9.76,;14.77,-8.69,;13.86,-7.45,;14.77,-6.2,;16.23,-6.68,;17.56,-5.9,;18.9,-6.67,;18.9,-8.22,;17.56,-8.99,;16.23,-8.22,;12.36,-12.1,;11.02,-11.34,;11,-9.8,;9.69,-12.11,;8.15,-12.11,;7.44,-13.45,;5.95,-14.12,;4.95,-12.97,;3.43,-12.65,;5.08,-12.07,;5.75,-10.75,;7.17,-10.92,;5.68,-11.56,;6.03,-13.12,;15.02,-12.07,;15.02,-13.61,;16.34,-11.29,;17.68,-12.06,;17.68,-13.6,;16.34,-14.37,;16.85,-15.83,;18.36,-16.11,;15.86,-16.98,;14.35,-16.72,;13.35,-17.88,;13.86,-19.33,;11.82,-17.59,;19,-11.27,;20.34,-12.04,;21.67,-11.27,;23,-12.03,;23.01,-13.58,;21.67,-14.35,;20.34,-13.58,)|
Structure:
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