Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50154422
Substrate
n/a
Meas. Tech.
ChEMBL_310796 (CHEMBL835642)
EC50
517±n/a nM
Citation
 Muñoz-Ruiz, P; García-López, MT; Cenarruzabeitia, E; Del Río, J; Dufresne, M; Foucaud, M; Fourmy, D; Herranz, R 5-(tryptophylamino)-1,3-dioxoperhydropyrido[1,2-c]pyrimidine-based cholecystokinin receptor antagonists: reversal of CCK1 receptor subtype selectivity toward CCK2 receptors. J Med Chem 47:5318-29 (2004) [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:
BDBM50154422
Synonyms:
(S)-2-[(R)-2-(4-Dimethylamino-phenyl)-1,3-dioxo-octahydro-pyrido[1,2-c]pyrimidin-5-ylamino]-3-(1H-indol-3-yl)-propionic acid adamantan-2-yl ester | CHEMBL364334
Type:
Small organic molecule
Emp. Form.:
C37H45N5O4
Mol. Mass.:
623.7843
SMILES:
CN(C)c1ccc(cc1)N1C(=O)CC2[C@@H](CCCN2C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3 |wD:14.23,22.24,TLB:42:37:45:41.43.40,42:41:36.37.38:45,THB:40:41:36:39.38.45,40:39:36:41.43.42,35:36:39.38.45:41.43.42,35:36:45:41.43.40,(10.95,5.65,;9.67,6.42,;9.67,7.89,;8.36,5.65,;7,6.45,;5.65,5.65,;5.66,4.11,;7,3.32,;8.36,4.09,;4.31,3.33,;4.31,1.78,;5.66,.99,;2.97,1.01,;1.63,1.78,;.28,1.01,;-1.06,1.78,;-1.06,3.33,;.28,4.11,;1.63,3.33,;2.97,4.11,;2.97,5.65,;.28,-.55,;-1.06,-1.32,;-2.39,-.54,;-3.64,-1.19,;-4.12,-2.52,;-5.52,-2.5,;-5.93,-1.13,;-7.2,-.53,;-7.31,.88,;-6.14,1.67,;-4.87,1.06,;-4.76,-.34,;-1.06,-2.86,;.28,-3.65,;-2.39,-3.63,;-2.39,-5.19,;-2.39,-6.68,;-3.76,-7.01,;-5.04,-6.53,;-6.2,-7.78,;-4.75,-7.37,;-3.4,-7.91,;-4.76,-5.83,;-3.74,-4.63,;-5.04,-5.1,)|
Structure:
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