Reaction Details  Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50470615
Substrate
n/a
Meas. Tech.
ChEMBL_48425 (CHEMBL660353)
Ki
135±n/a nM
Citation
 Kalindjian, SB; Buck, IM; Cushnir, JR; Dunstone, DJ; Hudson, ML; Low, CM; McDonald, IM; Pether, MJ; Steel, KI; Tozer, MJ Improving the affinity and selectivity of a nonpeptide series of cholecystokinin-B/gastrin receptor antagonists based on the dibenzobicyclo[2.2.2]octane skeleton. J Med Chem 38:4294-302 (1995) [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:
BDBM50470615
Synonyms:
CHEMBL422981
Type:
Small organic molecule
Emp. Form.:
C45H45N3O5
Mol. Mass.:
707.8559
SMILES:
OC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C(C3c4ccccc4C2c2ccccc32)C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 |wD:10.10,TLB:25:24:21.22:36.31,35:36:21.22:29.24,48:43:50:47.49.46,48:47:50:43.42.44,THB:46:45:42:47.49.48,46:47:42:45.50.44,19:21:29.24:36.31,32:31:21.22:29.24,37:22:29.24:36.31,(19.95,-12,;19.95,-10.45,;21.3,-9.68,;18.62,-9.68,;17.28,-10.45,;15.96,-9.68,;15.96,-8.13,;14.64,-7.36,;13.09,-7.36,;12.69,-5.86,;12,-8.45,;12.4,-9.96,;13.74,-10.73,;13.7,-12.25,;15.05,-13.03,;16.38,-12.28,;16.38,-10.73,;15.06,-9.97,;10.51,-8.07,;9.02,-7.67,;9.48,-6.13,;4.42,-8.45,;5.42,-7.44,;5.42,-9.29,;3.14,-9.86,;1.45,-9.57,;-.18,-10.22,;-.52,-11.26,;1.01,-11.76,;2.56,-11.16,;4.45,-10.6,;6.68,-11.09,;7.83,-12.42,;9.79,-12.42,;10.45,-11.16,;9.18,-9.9,;7.39,-9.9,;6.07,-6.29,;5.12,-5.39,;7.2,-5.64,;7.16,-4.33,;8.29,-3.65,;9.16,-4.75,;10.35,-4.26,;10.35,-2.91,;9.48,-1.88,;10.63,-2.27,;10.61,-3.54,;11.63,-4.62,;9.48,-3.96,;8.29,-2.36,;17.28,-7.36,;18.62,-8.13,)|
Structure:
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