Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50045818
Substrate
n/a
Meas. Tech.
ChEMBL_49880 (CHEMBL663396)
Ki
89±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:
BDBM50045818
Synonyms:
CHEMBL95115 | [2-(1H-Indol-3-yl)-1-methyl-1-(2-naphthalen-1-yl-ethylcarbamoyl)-ethyl]-carbamic acid adamantan-2-yl ester
Type:
Small organic molecule
Emp. Form.:
C35H39N3O3
Mol. Mass.:
549.7025
SMILES:
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1cccc2ccccc12 |wU:21.23,19.27,17.19,wD:23.26,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:16.23.24:18,(9.96,-9.54,;8.63,-10.31,;7.31,-11.09,;7.32,-12.64,;8.23,-13.87,;7.32,-15.13,;5.85,-14.67,;4.51,-15.44,;3.18,-14.67,;3.18,-13.13,;4.51,-12.34,;5.85,-13.11,;7.13,-9.91,;5.8,-9.14,;4.7,-10.21,;5.4,-7.65,;3.91,-7.25,;2.17,-7.25,;1.1,-8.29,;-.18,-7.65,;-.74,-6.24,;.38,-5.19,;2.02,-5.03,;2.58,-6.45,;1.43,-7.55,;1.6,-5.96,;9.97,-11.08,;9.96,-12.62,;11.51,-11.08,;12.27,-9.74,;13.81,-9.74,;14.58,-8.39,;13.81,-7.08,;14.57,-5.75,;16.12,-5.73,;16.89,-7.08,;18.41,-7.08,;19.18,-8.39,;18.41,-9.72,;16.89,-9.72,;16.12,-8.39,)|
Structure:
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