Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50005823
Substrate
n/a
Meas. Tech.
ChEBML_49880
Ki
87±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:
BDBM50005823
Synonyms:
CHEMBL291033 | [2-(1H-Indol-3-yl)-1-methyl-1-phenethylcarbamoyl-ethyl]-carbamic acid adamantan-2-yl ester
Type:
Small organic molecule
Emp. Form.:
C31H37N3O3
Mol. Mass.:
499.6438
SMILES:
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccccc1 |wU:21.23,23.26,17.19,wD:19.27,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:16.23.24:18,20:19:16:21.22.25,(13.64,-8.63,;12.89,-7.3,;11.64,-6.4,;11.8,-4.86,;10.64,-3.84,;11.27,-2.42,;12.8,-2.57,;13.93,-1.52,;15.4,-1.99,;15.74,-3.52,;14.58,-4.54,;13.13,-4.08,;12.1,-8.62,;10.56,-8.6,;9.82,-7.25,;9.79,-9.91,;8.24,-9.88,;8.24,-11.43,;7.21,-12.7,;5.8,-12.13,;4.31,-12.55,;5.51,-11.27,;5.48,-9.79,;6.85,-9.3,;5.8,-10.55,;6.83,-11.77,;14.42,-7.18,;15.09,-5.8,;15.29,-8.46,;16.82,-8.34,;17.66,-9.63,;19.21,-9.52,;19.88,-8.14,;21.42,-8.02,;22.28,-9.3,;21.61,-10.69,;20.08,-10.78,)|
Structure:
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