Reaction Details  Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50471063
Substrate
n/a
Meas. Tech.
ChEMBL_48427 (CHEMBL660355)
Ki
537±n/a nM
Citation
 Kalindjian, SB; Buck, IM; Davies, JM; Dunstone, DJ; Hudson, ML; Low, CM; McDonald, IM; Pether, MJ; Steel, KI; Tozer, MJ; Vinter, JG Non-peptide cholecystokinin-B/gastrin receptor antagonists based on bicyclic, heteroaromatic skeletons. J Med Chem 39:1806-15 (1996) [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:
BDBM50471063
Synonyms:
CHEMBL301095
Type:
Small organic molecule
Emp. Form.:
C29H31NO3
Mol. Mass.:
441.5613
SMILES:
OC(=O)C1C(C2c3ccccc3C1c1ccccc21)C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:30:29:32:25.24.26,30:25:32:29.31.28,17:18:4.3:11.6,7:6:4.3:18.13,10:11:4.3:18.13,THB:28:27:24:29.31.30,28:29:24:27.32.26,19:4:11.6:18.13,1:3:11.6:18.13,14:13:4.3:11.6,(5.18,-3.21,;3.53,-3.21,;3.95,-1.61,;1.88,-3.21,;2.73,-2.3,;2.73,-3.37,;.97,-4.32,;.25,-3.1,;-1.24,-3.18,;-2.04,-4.47,;-1.32,-5.68,;.18,-5.59,;1.9,-4.55,;3.55,-5.37,;4.17,-6.57,;5.62,-6.58,;6.44,-5.37,;5.82,-4.15,;4.38,-4.17,;3.35,-.77,;2.33,.52,;4.98,-.55,;6.15,.62,;7.8,.62,;7.85,2.25,;9.4,2.8,;10.26,1.52,;10.26,.02,;11.99,-.71,;11.01,.64,;11.05,2.26,;9.42,.04,;8.77,-.55,)|
Structure:
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