Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50070467
Substrate
n/a
Meas. Tech.
ChEBML_47822
IC50
0.087000±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:
BDBM50070467
Synonyms:
1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl]-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 | CHEMBL432266
Type:
Small organic molecule
Emp. Form.:
C33H32FN9O3
Mol. Mass.:
621.6641
SMILES:
Fc1ccccc1C1=NC(NC(=O)Nc2cccc(c2)-c2nnn[nH]2)C(=O)N(CC(=O)N2CC3CCC(CC3)C2)c2ccccc12 |t:8,(1.42,-6,;-.06,-6.42,;-.53,-7.87,;-2.05,-8.21,;-3.07,-7.07,;-2.61,-5.6,;-1.1,-5.28,;-.62,-3.81,;.87,-3.58,;1.59,-2.15,;2.92,-2.92,;4.25,-2.15,;4.27,-.61,;5.58,-2.92,;6.93,-2.17,;8.26,-2.95,;9.59,-2.18,;9.6,-.64,;8.24,.13,;6.93,-.64,;8.24,1.67,;7,2.57,;7.47,4.04,;9.01,4.04,;9.5,2.58,;.92,-.7,;1.87,.51,;-.58,-.4,;-1,1.07,;.05,2.19,;-.37,3.66,;1.55,1.81,;1.24,3.1,;2.22,4.25,;3.8,4.12,;4.65,2.79,;4.13,1.39,;3.69,3.12,;2.2,2.71,;2.88,1.05,;-1.56,-1.34,;-2.89,-.57,;-4.22,-1.35,;-4.22,-2.89,;-2.89,-3.66,;-1.56,-2.9,)|
Structure:
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