Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50006886
Substrate
n/a
Meas. Tech.
ChEMBL_48250 (CHEMBL661839)
IC50
70±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:
BDBM50006886
Synonyms:
CHEMBL313756 | [1-[2-(3-Benzenesulfonylamino-propionylamino)-2-phenyl-ethylcarbamoyl]-2-(1H-indol-3-yl)-1-methyl-ethyl]-carbamic acid adamantan-2-yl ester
Type:
Small organic molecule
Emp. Form.:
C40H47N5O6S
Mol. Mass.:
725.896
SMILES:
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCNS(=O)(=O)c1ccccc1)c1ccccc1 |wU:30.35,TLB:18:19:23:16.17.22,15:16:23:19.25.20,THB:20:21:16:19.18.25,20:19:16:21.23.22,18:17:23:19.25.20,(8.47,-8.68,;8.47,-7.15,;8.48,-5.61,;7.58,-4.32,;6.05,-4.55,;5.37,-3.19,;6.47,-2.11,;6.4,-.57,;7.69,.27,;9.07,-.45,;9.12,-1.99,;7.83,-2.81,;7.13,-7.9,;5.8,-7.13,;5.8,-5.6,;4.46,-7.9,;3.12,-7.12,;3.12,-5.58,;1.81,-4.79,;.48,-5.56,;-1.49,-5.62,;-.16,-6.38,;1.32,-5.98,;.24,-7.88,;1.79,-7.88,;.45,-7.1,;9.8,-7.9,;9.8,-9.45,;11.13,-7.13,;12.47,-7.9,;13.79,-7.12,;13.78,-5.58,;15.1,-4.79,;15.09,-3.26,;16.43,-5.55,;17.77,-4.76,;19.12,-5.54,;20.45,-4.74,;19.35,-3.64,;21.54,-3.64,;21.8,-5.51,;21.8,-7.06,;23.15,-7.83,;24.49,-7.04,;24.47,-5.48,;23.13,-4.72,;15.12,-7.88,;16.45,-7.11,;17.78,-7.86,;17.79,-9.4,;16.47,-10.18,;15.12,-9.42,)|
Structure:
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