Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50070464
Substrate
n/a
Meas. Tech.
ChEMBL_47821 (CHEMBL662563)
IC50
0.660000±n/a nM
Citation
 Tabuchi, S; Nakanishi, I; Satoh, Y Relationship between dihedral angles of N1 and C9 substituents in 1,4-benzodiazepines and dual cholecystokinin-A and -B antagonistic activities. Bioorg Med Chem Lett 8:1449-54 (1999) [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:
BDBM50070464
Synonyms:
1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl]-9-chloro-5-(2-fluoro-phenyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-3-[3-(1H-tetrazol-5-yl)-phenyl]-urea | CHEMBL32492
Type:
Small organic molecule
Emp. Form.:
C33H31ClFN9O3
Mol. Mass.:
656.109
SMILES:
Fc1ccccc1C1=NC(NC(=O)Nc2cccc(c2)-c2nnn[nH]2)C(=O)N(CC(=O)N2CC3CCC(CC3)C2)c2c(Cl)cccc12 |t:8,(1.83,-5.95,;.33,-6.36,;-.13,-7.82,;-1.63,-8.15,;-2.68,-7.01,;-2.21,-5.54,;-.69,-5.21,;-.23,-3.76,;1.28,-3.51,;2.01,-2.1,;3.34,-2.87,;4.67,-2.1,;4.67,-.56,;6,-2.87,;7.34,-2.11,;8.67,-2.88,;10,-2.12,;10,-.58,;8.66,.2,;7.34,-.57,;8.66,1.74,;7.41,2.63,;7.87,4.1,;9.41,4.1,;9.9,2.64,;1.33,-.64,;2.27,.58,;-.16,-.35,;-.6,1.14,;.47,2.24,;.03,3.73,;1.96,1.88,;3.29,1.11,;4.53,1.46,;5.05,2.86,;4.21,4.17,;2.62,4.31,;2.61,2.77,;4.09,3.17,;1.64,3.17,;-1.14,-1.28,;-2.49,-.51,;-2.49,1.03,;-3.82,-1.28,;-3.82,-2.83,;-2.49,-3.6,;-1.14,-2.83,)|
Structure:
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