Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50006872
Substrate
n/a
Meas. Tech.
ChEMBL_48250 (CHEMBL661839)
IC50
77±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:
BDBM50006872
Synonyms:
CHEMBL86702 | {2-(1H-Indol-3-yl)-1-methyl-1-[2-phenyl-2-(3-trifluoromethanesulfonylamino-propionylamino)-ethylcarbamoyl]-ethyl}-carbamic acid adamantan-2-yl ester
Type:
Small organic molecule
Emp. Form.:
C35H42F3N5O6S
Mol. Mass.:
717.798
SMILES:
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCNS(=O)(=O)C(F)(F)F)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,(9.64,-6.92,;9.64,-5.38,;9.66,-3.84,;8.75,-2.56,;7.23,-2.8,;6.55,-1.41,;7.64,-.34,;7.58,1.2,;8.87,2.03,;10.24,1.31,;10.3,-.22,;9.01,-1.04,;8.31,-6.14,;6.97,-5.38,;6.97,-3.83,;5.63,-6.13,;4.3,-5.35,;4.3,-3.81,;2.98,-3.03,;1.65,-3.8,;-.32,-3.85,;1.02,-4.63,;2.49,-4.22,;1.41,-6.12,;2.96,-6.12,;1.63,-5.33,;10.98,-6.15,;10.98,-7.69,;12.31,-5.38,;13.64,-6.13,;14.96,-5.35,;14.96,-3.82,;16.28,-3.03,;16.27,-1.48,;17.61,-3.78,;18.95,-3.01,;20.3,-3.77,;21.64,-2.98,;20.53,-1.88,;22.72,-1.88,;22.98,-3.75,;23,-5.3,;24.32,-2.96,;21.89,-4.85,;16.3,-6.12,;16.3,-7.65,;17.65,-8.42,;18.97,-7.63,;18.96,-6.09,;17.63,-5.34,)|
Structure:
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