Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50470042
Substrate
n/a
Meas. Tech.
ChEMBL_48428 (CHEMBL660356)
Ki
1905±n/a nM
Citation
 Kalindjian, SB; Bodkin, MJ; Buck, IM; Dunstone, DJ; Low, CM; McDonald, IM; Pether, MJ; Steel, KI A new class of non-peptidic cholecystokinin-B/gastrin receptor antagonists based on dibenzobicyclo[2.2.2]octane. J Med Chem 37:3671-3 (1994) [PubMed]  Article 
Target
Name:
Gastrin/cholecystokinin type B receptor
Synonyms:
Cckbr | Cholecystokinin A | Cholecystokinin receptor | GASR_MOUSE | Gastrin/cholecystokinin type B receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
49196.59
Organism:
MOUSE
Description:
Cholecystokinin A CCKBR MOUSE::P56481
Residue:
453
Sequence:
MDLLKLNRSLQGPGPGSGSSLCRPGVSLLNSSSAGNLSCETPRIRGTGTRELELTIRITLYAVIFLMSVGGNVLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVICKAVSYLMGVSVSVSTLNLAAIALERYSAICRPLQARVWQTRSHAARVILATWLLSGLLMVPYPVYTVVQPVGPRILQCMHLWPSERVQQMWSVLLLILLFFIPGVVMAVAYGLISRELYLGLRFDGDNDSETQSRVRNQGGLPGGAAAPGPVHQNGGCRHVTSLTGEDSDGCYVQLPRSRLEMTTLTTPTTGPGPGPRPNQAKLLAKKRVVRMLLVIVLLFFVCWLPVYSANTWRAFDGPGARRALAGAPISFIHLLSYTSACANPLVYCFMHRRFRQACLDTCARCCPRPPRARPRPLPDEDPPTPSIASLSRLSYTTISTLGPG
  
Inhibitor
Name:
BDBM50470042
Synonyms:
CHEMBL333758
Type:
Small organic molecule
Emp. Form.:
C31H34N2O4
Mol. Mass.:
498.6127
SMILES:
OC(=O)CNC(=O)C1C(C2c3ccccc3C1c1ccccc21)C(=O)NCC1C2CC3CC(C2)CC1C3 |TLB:36:35:33:30.29.31,5:7:17.22:10.15,21:22:8.7:10.15,11:10:8.7:17.22,THB:36:30:35.27.34:33,23:8:17.22:10.15,31:30:27:32.34.33,31:32:27:30.29.36,14:15:8.7:17.22,26:27:33:30.29.31,(14.7,-11.84,;13.45,-11.02,;12.02,-11.4,;13.89,-9.84,;13.01,-8.75,;11.24,-8.75,;11.31,-10.28,;9.99,-7.49,;11.24,-7.04,;8.89,-6.99,;8.55,-8.78,;9.25,-9.99,;8.61,-11.46,;7.04,-11.49,;6.25,-10.17,;6.99,-8.81,;7.42,-7.43,;6.3,-5.69,;5.59,-4.25,;6.49,-2.91,;8.1,-3.01,;8.81,-4.47,;7.9,-5.81,;12.05,-5.07,;11.39,-3.9,;13.61,-5.07,;14.34,-4.04,;15.58,-4.16,;16.11,-5.31,;17.37,-5.43,;18.1,-4.4,;18.97,-5.37,;18.01,-5.43,;17.28,-6.31,;17.19,-4,;16.31,-3.12,;17.57,-3.25,)|
Structure:
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