Reaction Details  Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50470635
Substrate
n/a
Meas. Tech.
ChEMBL_48425 (CHEMBL660353)
Ki
1288±n/a nM
Citation
 Kalindjian, SB; Buck, IM; Cushnir, JR; Dunstone, DJ; Hudson, ML; Low, CM; McDonald, IM; Pether, MJ; Steel, KI; Tozer, MJ Improving the affinity and selectivity of a nonpeptide series of cholecystokinin-B/gastrin receptor antagonists based on the dibenzobicyclo[2.2.2]octane skeleton. J Med Chem 38:4294-302 (1995) [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:
BDBM50470635
Synonyms:
CHEMBL133249
Type:
Small organic molecule
Emp. Form.:
C46H49N3O5
Mol. Mass.:
723.8984
SMILES:
OCc1cc(CO)cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C(C3c4ccccc4C2c2ccccc32)C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 |wD:12.12,TLB:37:38:23.24:31.26,27:26:23.24:38.33,46:47:51:45.44.50,50:49:52:45.44.46,50:45:52:49.51.48,THB:21:23:31.26:38.33,34:33:23.24:31.26,39:24:31.26:38.33,46:45:51:47.52.48,(22.71,-9.1,;21.37,-8.32,;20.04,-9.1,;20.04,-10.64,;18.7,-11.42,;18.7,-12.96,;20.04,-13.74,;17.38,-10.64,;17.38,-9.1,;16.06,-8.32,;14.51,-8.32,;14.11,-6.83,;13.41,-9.42,;13.82,-10.92,;15.15,-11.7,;16.47,-10.93,;17.8,-11.7,;17.8,-13.24,;16.46,-13.99,;15.12,-13.22,;11.93,-9.03,;10.44,-8.63,;10.9,-7.1,;5.84,-9.42,;6.84,-8.41,;6.84,-10.26,;4.55,-10.8,;2.87,-10.54,;1.24,-11.19,;.9,-12.22,;2.43,-12.73,;3.97,-12.13,;5.86,-11.57,;8.1,-12.06,;9.25,-13.38,;11.21,-13.38,;11.87,-12.13,;10.6,-10.87,;8.81,-10.87,;7.49,-7.26,;6.54,-6.36,;8.61,-6.6,;8.58,-5.29,;9.71,-4.62,;10.9,-4.93,;12.03,-4.51,;13.05,-5.58,;11.77,-5.23,;11.77,-3.88,;10.9,-2.85,;12.05,-3.23,;9.71,-3.33,;10.58,-5.71,;18.7,-8.32,)|
Structure:
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