Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50006883
Substrate
n/a
Meas. Tech.
ChEBML_48250
IC50
14±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:
BDBM50006883
Synonyms:
CHEMBL313499 | [1-[2-(3-Hydroxycarbamoyl-propionylamino)-2-phenyl-ethylcarbamoyl]-2-(1H-indol-3-yl)-1-methyl-ethyl]-carbamic acid adamantan-2-yl ester (1.5 hydrate)
Type:
Small organic molecule
Emp. Form.:
C35H43N5O6
Mol. Mass.:
629.7458
SMILES:
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(=O)NO)c1ccccc1 |wU:30.35,TLB:15:16:18:21.22.20,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:19:16:21.23.22,20:21:16:19.18.25,(9.29,-10.11,;9.29,-8.57,;9.29,-7.02,;8.4,-5.75,;6.88,-5.98,;6.2,-4.6,;7.28,-3.53,;7.22,-1.98,;8.51,-1.15,;9.88,-1.86,;9.95,-3.41,;8.65,-4.23,;7.95,-9.32,;6.62,-8.56,;6.62,-7.02,;5.28,-9.31,;3.95,-8.54,;3.95,-7,;2.63,-6.21,;1.29,-6.97,;-.68,-7.04,;.66,-7.81,;2.13,-7.4,;1.06,-9.29,;2.6,-9.29,;1.27,-8.52,;10.62,-9.33,;10.62,-10.87,;11.94,-8.56,;13.28,-9.32,;14.61,-8.54,;14.6,-7,;15.93,-6.21,;15.91,-4.67,;17.27,-6.97,;18.61,-6.19,;19.94,-6.95,;19.97,-8.5,;21.28,-6.17,;22.63,-6.93,;15.95,-9.29,;15.96,-10.84,;17.29,-11.61,;18.63,-10.82,;18.61,-9.27,;17.27,-8.52,)|
Structure:
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