Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50033607
Substrate
n/a
Meas. Tech.
ChEMBL_48257 (CHEMBL662868)
IC50
6.3±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:
BDBM50033607
Synonyms:
Adamantane-2-carboxylic acid [1-(1-hydroxymethyl-2-phenyl-ethylcarbamoyl)-2-(1H-indol-3-yl)-1-methyl-ethyl]-amide | CHEMBL357564
Type:
Small organic molecule
Emp. Form.:
C32H39N3O3
Mol. Mass.:
513.6704
SMILES:
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)Cc1ccccc1 |wU:1.0,wD:1.13,28.32,TLB:13:15:17:20.21.19,THB:22:23:17:20.21.19,22:20:17:15.23.24,19:20:15:18.17.24,19:18:15:20.21.22,(7.54,-2.58,;8.87,-3.35,;8.89,-1.81,;9.37,-.36,;8.45,.89,;9.37,2.14,;10.82,1.66,;12.16,2.43,;13.49,1.66,;13.49,.12,;12.16,-.65,;10.82,.12,;7.77,-4.44,;6.27,-4.02,;5.9,-2.55,;4.88,-4.65,;3.44,-3.86,;1.92,-4.09,;1.57,-5.56,;2.26,-6.81,;3.73,-6.58,;4.01,-5.18,;5.2,-7.55,;4.53,-6.14,;2.95,-6.4,;10.2,-4.12,;11.52,-3.35,;10.18,-5.66,;11.52,-6.43,;12.84,-5.66,;14.18,-6.4,;11.52,-7.97,;12.84,-8.74,;12.83,-10.28,;14.16,-11.05,;15.5,-10.28,;15.5,-8.74,;14.21,-7.94,)|
Structure:
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