Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50453000
Substrate
n/a
Meas. Tech.
ChEBML_48263
IC50
8.7±n/a nM
Citation
 Horwell, DC; Hughes, J; Hunter, JC; Pritchard, MC; Richardson, RS; Roberts, E; Woodruff, GN Rationally designed"dipeptoid" analogues of CCK. alpha-Methyltryptophan derivatives as highly selective and orally active gastrin and CCK-B antagonists with potent anxiolytic properties. J Med Chem 34:404-14 (1991) [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:
BDBM50453000
Synonyms:
CHEMBL2112695
Type:
Small organic molecule
Emp. Form.:
C35H41N3O7
Mol. Mass.:
615.7159
SMILES:
[H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@](C)(Cc1c[nH]c4ccccc14)C(=O)NCC(OC(=O)CCC(O)=O)c1ccccc1)[C@@]([H])(C2)C3 |wU:14.15,1.0,6.6,wD:3.3,45.49,TLB:10:9:5:1.8.2,THB:47:45:5:1.8.2,47:1:5:9.45.48,2:3:9:1.8.47,2:1:9:3.5.48,(-2.04,-16.44,;-1.27,-15.12,;-2.79,-14.8,;-1.14,-14.22,;-2.15,-13.07,;-.47,-12.9,;.94,-13.09,;1.67,-11.75,;-.55,-13.71,;1.92,-14.26,;3.46,-14.26,;4.79,-13.49,;4.78,-11.95,;6.14,-14.24,;7.45,-13.45,;7.55,-14.96,;7.44,-11.91,;8.54,-10.84,;7.64,-9.6,;8.54,-8.35,;10.01,-8.83,;11.34,-8.05,;12.67,-8.82,;12.67,-10.37,;11.34,-11.14,;10.01,-10.37,;8.8,-14.21,;10.12,-13.42,;8.8,-15.75,;10.15,-16.5,;11.21,-15.35,;12.8,-14.95,;14.13,-14.16,;14.12,-12.62,;15.47,-14.92,;16.79,-14.13,;18.14,-14.89,;19.45,-14.1,;18.16,-16.43,;12.81,-16.49,;14.13,-15.7,;15.47,-16.46,;15.5,-18.01,;14.16,-18.78,;12.81,-18.03,;1.22,-15.6,;2.26,-16.73,;-.28,-16.27,;-.19,-15.27,)|
Structure:
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