Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50456329
Substrate
n/a
Meas. Tech.
ChEMBL_48257 (CHEMBL662868)
IC50
0.510000±n/a nM
Citation
 Boden, PR; Higginbottom, M; Hill, DR; Horwell, DC; Hughes, J; Rees, DC; Roberts, E; Singh, L; Suman-Chauhan, N; Woodruff, GN Cholecystokinin dipeptoid antagonists: design, synthesis, and anxiolytic profile of some novel CCK-A and CCK-B selective and"mixed" CCK-A/CCK-B antagonists. J Med Chem 36:552-65 (1993) [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:
BDBM50456329
Synonyms:
CHEMBL2111261
Type:
Small organic molecule
Emp. Form.:
C33H41N3O6
Mol. Mass.:
575.6951
SMILES:
O.[H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@](C)(Cc1c[nH]c4ccccc14)C(=O)N[C@H](CC(O)=O)Cc1ccccc1)[C@@]([H])(C2)C3 |wU:15.15,42.45,2.0,wD:15.16,30.32,7.6,4.3,TLB:9:7:45:2.44.3,9:2:10.7.6:45,11:10:2.9.44:4.6.45,THB:3:4:10:2.9.44,3:2:10:4.6.45,(18.02,-11.65,;.78,-3.99,;.75,-5.53,;-.6,-6,;-.58,-7.49,;-2.01,-6.93,;.74,-7.97,;2.13,-7.64,;3.09,-4.97,;2.15,-6.11,;1.12,-8.9,;2.61,-9.32,;3.7,-8.22,;3.41,-6.97,;5.18,-8.64,;6.27,-7.55,;4.94,-6.78,;6.3,-6.01,;6.78,-4.56,;5.87,-3.32,;6.78,-2.06,;8.25,-2.55,;9.57,-1.76,;10.91,-2.53,;10.91,-4.09,;9.57,-4.86,;8.25,-4.09,;7.6,-8.32,;8.93,-7.55,;7.6,-9.86,;8.93,-10.63,;10.25,-9.86,;11.79,-9.85,;12.56,-11.18,;12.56,-8.5,;8.93,-12.17,;10.27,-12.94,;10.25,-14.48,;11.58,-15.25,;12.91,-14.48,;12.91,-12.94,;11.59,-12.17,;-.28,-8.34,;-.37,-9.86,;-.29,-6.75,;-1.79,-8.77,)|
Structure:
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