Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50033606
Substrate
n/a
Meas. Tech.
ChEMBL_48257 (CHEMBL662868)
IC50
0.70±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:
BDBM50033606
Synonyms:
3-{2-[2-[(Adamantane-2-carbonyl)-amino]-3-(1H-indol-3-yl)-2-methyl-propionylamino]-1-phenyl-ethylcarbamoyl}-acrylic acid | CHEMBL345512
Type:
Small organic molecule
Emp. Form.:
C35H40N4O5
Mol. Mass.:
596.7159
SMILES:
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)\C=C\C(O)=O)c1ccccc1 |wU:29.34,1.0,wD:1.13,TLB:21:16:24:20.22.19,21:20:15.16.17:24,THB:13:15:24:20.22.19,19:18:15:20.22.21,19:20:15:18.17.24,(7.9,-1.29,;9.25,-2.06,;9.25,-.52,;9.73,.93,;8.83,2.18,;9.73,3.43,;11.21,2.95,;12.52,3.72,;13.87,2.95,;13.87,1.41,;12.52,.64,;11.21,1.41,;8.16,-3.14,;6.67,-2.74,;6.27,-1.25,;5.26,-3.38,;3.83,-2.58,;4.41,-3.89,;4.14,-5.29,;2.67,-5.55,;1.99,-4.3,;2.32,-2.82,;3.37,-5.11,;4.94,-4.86,;5.59,-6.27,;10.57,-2.83,;11.9,-2.06,;10.57,-4.37,;11.9,-5.14,;11.88,-6.67,;10.56,-7.45,;10.56,-8.99,;11.88,-9.76,;9.22,-9.75,;7.89,-8.98,;6.56,-9.75,;6.54,-11.29,;5.21,-8.98,;13.23,-7.45,;14.58,-6.65,;15.88,-7.45,;15.88,-8.99,;14.54,-9.76,;13.22,-8.99,)|
Structure:
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