Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50033604
Substrate
n/a
Meas. Tech.
ChEMBL_48257 (CHEMBL662868)
IC50
0.80±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:
BDBM50033604
Synonyms:
3-{2-[2-[(Adamantane-2-carbonyl)-amino]-3-(1H-indol-3-yl)-2-methyl-propionylamino]-3-phenyl-propylcarbamoyl}-acrylic acid | CHEMBL356419
Type:
Small organic molecule
Emp. Form.:
C36H42N4O5
Mol. Mass.:
610.7425
SMILES:
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)\C=C\C(O)=O)Cc1ccccc1 |wU:1.0,wD:1.13,28.32,TLB:13:15:17:20.21.19,THB:22:23:17:20.21.19,22:20:17:15.23.24,19:18:15:20.21.22,19:20:15:18.17.24,(4.56,-2.64,;5.89,-3.41,;5.91,-1.86,;6.4,-.4,;5.48,.84,;6.4,2.09,;7.85,1.61,;9.19,2.4,;10.52,1.63,;10.52,.06,;9.19,-.71,;7.85,.06,;4.8,-4.48,;3.31,-4.08,;2.92,-2.58,;2,-4.9,;.46,-4.32,;-.99,-4.79,;-1.11,-6.3,;-.25,-7.44,;1.17,-6.98,;1.23,-5.56,;2.74,-7.73,;1.9,-6.41,;.39,-6.91,;7.23,-4.18,;8.55,-3.41,;7.21,-5.72,;8.55,-6.49,;9.88,-5.7,;11.22,-6.46,;12.55,-5.69,;12.54,-4.15,;13.89,-6.43,;15.21,-5.66,;16.56,-6.41,;17.9,-5.62,;16.59,-7.95,;8.55,-8.04,;9.88,-8.81,;11.25,-8,;12.54,-8.81,;12.54,-10.35,;11.2,-11.1,;9.87,-10.35,)|
Structure:
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