Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50005824
Substrate
n/a
Meas. Tech.
ChEBML_48256
IC50
1310±n/a nM
Citation
 Fincham, CI; Higginbottom, M; Hill, DR; Horwell, DC; O'Toole, JC; Ratcliffe, GS; Rees, DC; Roberts, E Amide bond replacements incorporated into CCK-B selective"dipeptoids". J Med Chem 35:1472-84 (1992) [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:
BDBM50005824
Synonyms:
CHEMBL288037 | [1-[(Acetyl-phenethyl-amino)-methyl]-2-(1H-indol-3-yl)-1-methyl-ethyl]-carbamic acid adamantan-2-yl ester;0.25H2O
Type:
Small organic molecule
Emp. Form.:
C33H41N3O3
Mol. Mass.:
527.6969
SMILES:
CC(=O)N(CCc1ccccc1)CC(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:34.42,30.33,wD:32.34,36.38,TLB:28:29:35:32.37.33,THB:31:30:35:32.37.33,31:32:35:29.30.38,(15.35,-10.75,;14.04,-9.98,;12.69,-10.73,;14.04,-8.44,;15.51,-7.99,;16.64,-9.03,;18.11,-8.58,;18.46,-7.09,;19.91,-6.64,;21.06,-7.68,;20.71,-9.19,;19.24,-9.64,;13.17,-7.17,;11.66,-7.29,;12.42,-8.61,;10.41,-6.39,;10.57,-4.85,;9.42,-3.83,;10.02,-2.42,;11.57,-2.57,;12.69,-1.52,;14.17,-1.99,;14.49,-3.51,;13.35,-4.54,;11.89,-4.08,;10.88,-8.6,;9.34,-8.58,;8.58,-7.23,;8.55,-9.9,;7.01,-9.86,;7.01,-11.41,;5.98,-12.68,;4.59,-12.11,;3.09,-12.53,;4.28,-11.24,;4.28,-9.77,;5.63,-9.29,;4.57,-10.53,;5.6,-11.75,)|
Structure:
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