Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50455599
Substrate
n/a
Meas. Tech.
ChEBML_48250
IC50
4.3±n/a nM
Citation
 Drysdale, MJ; Pritchard, MC; Horwell, DC Rationally designed"dipeptoid" analogues of CCK. Acid mimics of the potent and selective non-peptide CCK-B receptor antagonist CI-988. J Med Chem 35:2573-81 (1992) [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:
BDBM50455599
Synonyms:
CHEMBL2112333
Type:
Small organic molecule
Emp. Form.:
C35H41N7O5S
Mol. Mass.:
671.809
SMILES:
[H][C@](CNC(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)(NC(=O)CSc1n[nH]c(=O)[nH]1)c1ccccc1 |wU:1.36,wD:6.7,1.0,TLB:21:22:24:27.28.26,THB:26:25:22:27.29.28,26:27:22:25.24.31,29:30:24:27.28.26,29:27:24:22.30.31,(14.15,-7.57,;12.83,-8.34,;11.5,-9.12,;10.17,-8.37,;8.85,-9.14,;8.85,-10.68,;7.52,-8.37,;7.52,-9.91,;7.52,-6.84,;6.63,-5.56,;5.11,-5.79,;4.43,-4.41,;5.51,-3.33,;5.46,-1.8,;6.74,-.97,;8.11,-1.69,;8.18,-3.22,;6.88,-4.04,;6.18,-9.13,;4.85,-8.37,;4.85,-6.82,;3.51,-9.12,;2.19,-8.34,;2.19,-6.8,;.87,-6.03,;-.47,-6.79,;-2.44,-6.85,;-1.1,-7.62,;.87,-7.93,;-.69,-9.11,;.84,-9.11,;-.48,-8.32,;12.82,-6.81,;14.15,-6.03,;14.13,-4.48,;15.49,-6.77,;16.82,-6,;18.16,-6.77,;18.34,-8.29,;19.86,-8.6,;20.61,-7.26,;22.15,-7.08,;19.58,-6.12,;14.17,-9.11,;14.17,-10.64,;15.51,-11.41,;16.84,-10.63,;16.82,-9.09,;15.49,-8.32,)|
Structure:
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