Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50455596
Substrate
n/a
Meas. Tech.
ChEMBL_48250 (CHEMBL661839)
IC50
1.7±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:
BDBM50455596
Synonyms:
CHEMBL2112336
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)C[S+]([O-])c1nc[nH]n1)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,(5.59,-7.16,;4.27,-7.93,;2.94,-8.7,;1.6,-7.94,;.28,-8.71,;.28,-10.24,;-1.05,-7.94,;-1.06,-9.47,;-1.04,-6.39,;-1.93,-5.12,;-3.45,-5.35,;-4.13,-3.97,;-3.05,-2.89,;-3.1,-1.35,;-1.81,-.52,;-.44,-1.24,;-.37,-2.78,;-1.67,-3.6,;-2.39,-8.69,;-3.72,-7.93,;-3.71,-6.39,;-5.07,-8.67,;-6.39,-7.9,;-6.39,-6.36,;-7.71,-5.57,;-9.05,-6.32,;-11.02,-6.39,;-9.68,-7.16,;-7.82,-7.41,;-9.28,-8.64,;-7.74,-8.65,;-9.07,-7.87,;4.26,-6.39,;5.6,-5.61,;5.58,-4.07,;6.93,-6.37,;8.27,-5.59,;8.27,-4.05,;9.61,-6.36,;9.79,-7.88,;11.3,-8.21,;12.07,-6.85,;11.03,-5.72,;5.6,-8.69,;5.61,-10.24,;6.94,-11.01,;8.28,-10.22,;8.26,-8.67,;6.93,-7.92,)|
Structure:
Search PDB for entries with ligand similarity: