Reaction Details  Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50470622
Substrate
n/a
Meas. Tech.
ChEMBL_48425 (CHEMBL660353)
Ki
224±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:
BDBM50470622
Synonyms:
CHEMBL436175
Type:
Small organic molecule
Emp. Form.:
C40H43N3O5
Mol. Mass.:
645.7865
SMILES:
OC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)C1C(C2c3ccccc3C1c1ccccc21)C(=O)NCC12CC3CC(CC(C3)C1)C2 |wU:7.7,TLB:32:33:18.19:21.26,16:18:28.33:21.26,22:21:18.19:28.33,34:19:28.33:21.26,41:42:46:40.39.45,THB:25:26:18.19:28.33,41:40:46:42.47.43,43:42:39:44.46.45,43:44:39:42.47.41,(28.31,-8.87,;26.95,-8.1,;26.97,-6.54,;25.63,-8.87,;24.29,-8.1,;22.94,-8.89,;22.94,-10.45,;21.62,-8.12,;21.6,-6.57,;22.68,-5.47,;24.17,-5.85,;25.27,-4.77,;24.87,-3.27,;23.36,-2.88,;22.28,-3.98,;20.28,-8.9,;18.77,-8.51,;19.24,-6.96,;14.17,-9.29,;15.17,-8.28,;15.17,-10.13,;17.14,-10.75,;18.93,-10.75,;20.22,-12.01,;19.55,-13.27,;17.57,-13.27,;16.43,-11.95,;14.18,-11.45,;12.29,-12.01,;10.75,-12.61,;9.2,-12.11,;9.54,-11.07,;11.17,-10.41,;12.88,-10.68,;15.82,-7.13,;14.86,-6.22,;16.95,-6.47,;16.93,-5.15,;18.06,-4.47,;18.05,-3.18,;19.24,-2.7,;20.39,-3.08,;20.39,-4.37,;21.39,-5.44,;20.12,-5.09,;20.13,-3.73,;18.93,-5.57,;19.25,-4.79,)|
Structure:
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