Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50154426
Substrate
n/a
Meas. Tech.
ChEMBL_310796 (CHEMBL835642)
EC50
98±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:
BDBM50154426
Synonyms:
(S)-2-((4R,5R)-2-Benzyl-4-methyl-1,3-dioxo-octahydro-pyrido[1,2-c]pyrimidin-5-ylamino)-3-(1H-indol-3-yl)-propionic acid adamantan-2-yl ester | CHEMBL359589
Type:
Small organic molecule
Emp. Form.:
C37H44N4O4
Mol. Mass.:
608.7697
SMILES:
C[C@@H]1C2[C@@H](CCCN2C(=O)N(Cc2ccccc2)C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3 |wD:3.22,21.23,1.0,TLB:37:38:35.36.41:42,34:35:38.37.44:40.41.42,34:35:42:38.44.39,THB:37:36:42:38.44.39,39:38:35:40.41.42,39:40:35:38.37.44,(3.63,-.44,;3.63,1.06,;2.28,1.84,;.94,1.06,;-.4,1.84,;-.4,3.41,;.94,4.18,;2.28,3.41,;3.63,4.18,;3.63,5.73,;4.99,3.41,;6.36,4.18,;6.33,5.75,;4.99,6.52,;4.99,8.06,;6.33,8.84,;7.68,8.08,;7.7,6.52,;4.99,1.84,;6.36,1.05,;.94,-.51,;-.4,-1.27,;-1.74,-.49,;-3,-1.15,;-3.47,-2.48,;-4.89,-2.44,;-5.29,-1.08,;-6.57,-.49,;-6.68,.93,;-5.52,1.72,;-4.25,1.12,;-4.13,-.28,;-.4,-2.83,;.94,-3.6,;-1.74,-3.6,;-1.74,-5.17,;-1.74,-6.65,;-2.75,-7.9,;-4.11,-7.35,;-5.57,-7.74,;-4.41,-6.52,;-3.11,-6.99,;-4.41,-5.07,;-3.11,-4.6,;-4.13,-5.81,)|
Structure:
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