Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50006885
Substrate
n/a
Meas. Tech.
ChEBML_48250
IC50
6.3±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:
BDBM50006885
Synonyms:
(2-(1H-Indol-3-yl)-1-methyl-1-{2-phenyl-2-[3-(5H-tetrazol-5-ylcarbamoyl)-propionylamino]-ethylcarbamoyl}-ethyl)-carbamic acid adamantan-2-yl ester (hydrate) | CHEMBL85607
Type:
Small organic molecule
Emp. Form.:
C36H43N9O5
Mol. Mass.:
681.7839
SMILES:
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(=O)Nc1nnn[nH]1)c1ccccc1 |wU:30.35,TLB:25:24:22:19.18.20,THB:15:16:22:19.18.20,20:19:16:21.22.23,20:21:16:19.18.25,25:19:22:16.24.23,(5.37,-5.89,;5.39,-4.34,;5.4,-2.81,;4.5,-1.53,;2.98,-1.76,;2.3,-.38,;3.38,.69,;3.31,2.23,;4.6,3.06,;5.98,2.34,;6.04,.81,;4.74,-.01,;4.05,-5.11,;2.72,-4.33,;2.72,-2.8,;1.37,-5.09,;.05,-4.32,;.05,-2.77,;-1.76,-3.17,;-3.25,-3.58,;-4.58,-2.82,;-2.62,-2.76,;-1.28,-2,;-2.62,-4.29,;-1.3,-5.08,;-2.83,-5.08,;6.71,-5.11,;6.71,-6.65,;8.04,-4.33,;9.38,-5.09,;10.69,-4.32,;10.68,-2.79,;12.02,-2,;12,-.45,;13.35,-2.75,;14.69,-1.98,;16.03,-2.74,;16.05,-4.29,;17.37,-1.95,;18.7,-2.72,;20.12,-2.07,;21.16,-3.21,;20.4,-4.55,;18.89,-4.25,;12.02,-5.08,;12.04,-6.61,;13.38,-7.39,;14.71,-6.61,;14.7,-5.06,;13.36,-4.31,)|
Structure:
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