Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50006888
Substrate
n/a
Meas. Tech.
ChEBML_48250
IC50
23±n/a nM
Citation
 Drysdale, MJ; Pritchard, MC; Horwell, DC Rationally designed"dipeptoid" analogues of CCK. Acid mimics of the potent and selective non-peptide CCK-B receptor antagonist CI-988. J Med Chem 35:2573-81 (1992) [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:
BDBM50006888
Synonyms:
(2-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-1-phenyl-ethylcarbamoyl}-ethyl)-methyl-phosphinic acid (1.5 hydrate) | CHEMBL433148
Type:
Small organic molecule
Emp. Form.:
C35H45N4O6P
Mol. Mass.:
648.7288
SMILES:
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCP(C)(O)=O)c1ccccc1 |wU:30.35,TLB:15:16:18:21.22.20,THB:20:19:16:21.23.22,20:21:16:19.18.25,23:24:18:21.22.20,23:21:18:16.24.25,(13.35,-7.14,;13.36,-5.6,;13.37,-4.06,;12.48,-2.78,;10.95,-3.02,;10.27,-1.64,;11.36,-.56,;11.3,.98,;12.58,1.81,;13.96,1.1,;14.03,-.44,;12.72,-1.27,;12.02,-6.35,;10.69,-5.58,;10.69,-4.04,;9.35,-6.35,;8.02,-5.57,;8.02,-4.02,;6.7,-3.25,;5.36,-4.01,;3.39,-4.07,;4.73,-4.84,;6.21,-4.44,;5.14,-6.33,;6.68,-6.33,;5.35,-5.55,;14.69,-6.37,;14.69,-7.91,;16.02,-5.58,;17.36,-6.35,;18.68,-5.57,;18.67,-4.04,;20,-3.25,;19.97,-1.71,;21.33,-4,;22.66,-3.22,;24,-3.97,;23.19,-5.29,;25.31,-4.77,;24.8,-2.64,;20.02,-6.33,;21.34,-5.56,;22.68,-6.31,;22.69,-7.86,;21.37,-8.64,;20.02,-7.87,)|
Structure:
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