Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50045809
Substrate
n/a
Meas. Tech.
ChEBML_49880
Ki
184±n/a nM
Citation
 Blommaert, AG; Weng, JH; Dorville, A; McCort, I; Ducos, B; Durieux, C; Roques, BP Cholecystokinin peptidomimetics as selective CCK-B antagonists: design, synthesis, and in vitro and in vivo biochemical properties. J Med Chem 36:2868-77 (1993) [PubMed]  Article 
Target
Name:
Gastrin/cholecystokinin type B receptor
Synonyms:
CCK-2 receptor | CCK-B receptor | CCK-BR | CCKBR | CCKRB | Cholecystokinin A | Cholecystokinin receptor | Cholecystokinin-2 Receptor | GASR_HUMAN | Gastrin/cholecystokinin type B receptor
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
48445.79
Organism:
Homo sapiens (Human)
Description:
Stable expression of human CCK-2 receptors in HEK 293 cells.
Residue:
447
Sequence:
MELLKLNRSVQGTGPGPGASLCRPGAPLLNSSSVGNLSCEPPRIRGAGTRELELAIRITLYAVIFLMSVGGNMLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVICKAVSYLMGVSVSVSTLSLVAIALERYSAICRPLQARVWQTRSHAARVIVATWLLSGLLMVPYPVYTVVQPVGPRVLQCVHRWPSARVRQTWSVLLLLLLFFIPGVVMAVAYGLISRELYLGLRFDGDSDSDSQSRVRNQGGLPGAVHQNGRCRPETGAVGEDSDGCYVQLPRSRPALELTALTAPGPGSGSRPTQAKLLAKKRVVRMLLVIVVLFFLCWLPVYSANTWRAFDGPGAHRALSGAPISFIHLLSYASACVNPLVYCFMHRRFRQACLETCARCCPRPPRARPRALPDEDPPTPSIASLSRLSYTTISTLGPG
  
Inhibitor
Name:
BDBM50045809
Synonyms:
CHEMBL316462 | [1-[2-(3,4-Dichloro-phenyl)-ethylcarbamoyl]-2-(1H-indol-3-yl)-1-methyl-ethyl]-carbamic acid adamantan-2-yl ester
Type:
Small organic molecule
Emp. Form.:
C31H35Cl2N3O3
Mol. Mass.:
568.534
SMILES:
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccc(Cl)c(Cl)c1 |wU:21.23,19.27,17.19,wD:23.24,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:18:16.23.24,(13.49,-10.17,;12.16,-10.95,;10.83,-11.72,;10.83,-13.28,;11.74,-14.51,;10.85,-15.77,;9.38,-15.31,;8.03,-16.08,;6.7,-15.31,;6.7,-13.75,;8.03,-12.98,;9.36,-13.75,;10.66,-10.55,;9.32,-9.78,;8.22,-10.86,;8.92,-8.29,;7.44,-7.89,;5.69,-7.89,;4.63,-8.94,;3.34,-8.29,;2.8,-6.88,;3.9,-5.83,;5.54,-5.68,;6.11,-7.09,;4.95,-8.2,;5.13,-6.6,;13.49,-11.72,;13.49,-13.25,;15.03,-11.71,;15.8,-10.38,;17.34,-10.38,;18.11,-9.04,;17.32,-7.71,;18.09,-6.39,;19.63,-6.38,;20.4,-5.05,;20.42,-7.71,;21.96,-7.71,;19.63,-9.05,)|
Structure:
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