Reaction Details  Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50470634
Substrate
n/a
Meas. Tech.
ChEMBL_48425 (CHEMBL660353)
Ki
10±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:
BDBM50470634
Synonyms:
CHEMBL135350
Type:
Small organic molecule
Emp. Form.:
C46H37N3O7
Mol. Mass.:
743.8019
SMILES:
OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C(C3c4ccccc4C2c2ccccc32)C(=O)NCc2cccc3ccccc23)cc(c1)C(O)=O |wD:9.9,TLB:24:23:20.21:30.35,18:20:30.35:23.28,34:35:20.21:23.28,36:21:30.35:23.28,THB:27:28:20.21:30.35,(18.12,-9.94,;16.79,-9.16,;16.76,-7.61,;15.44,-9.96,;14.1,-9.19,;12.78,-9.96,;11.43,-9.19,;9.88,-9.19,;9.49,-7.68,;8.8,-10.28,;9.2,-11.78,;10.52,-12.56,;10.51,-14.1,;11.85,-14.88,;13.17,-14.11,;13.17,-12.56,;11.85,-11.78,;7.29,-9.88,;5.8,-9.49,;6.25,-7.93,;1.18,-10.28,;2.2,-9.26,;2.18,-11.13,;4.15,-11.72,;5.96,-11.72,;7.24,-13,;6.58,-14.24,;4.6,-14.24,;3.44,-12.94,;1.21,-12.43,;-.7,-13,;-2.23,-13.59,;-3.77,-13.1,;-3.45,-12.06,;-1.8,-11.4,;-.1,-11.69,;2.82,-8.12,;1.89,-7.19,;3.96,-7.45,;3.95,-6.12,;5.08,-5.47,;6.21,-6.12,;7.34,-5.47,;7.34,-4.15,;6.19,-3.5,;6.19,-2.21,;5.06,-1.56,;3.92,-2.23,;3.95,-3.53,;5.06,-4.15,;12.75,-11.49,;14.1,-12.27,;15.44,-11.49,;14.86,-13.62,;14.14,-15.17,;16.41,-13.62,)|
Structure:
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