Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50006877
Substrate
n/a
Meas. Tech.
ChEBML_48250
IC50
12±n/a nM
Citation
 Drysdale, MJ; Pritchard, MC; Horwell, DC Rationally designed"dipeptoid" analogues of CCK. Acid mimics of the potent and selective non-peptide CCK-B receptor antagonist CI-988. J Med Chem 35:2573-81 (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:
BDBM50006877
Synonyms:
({2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-1-phenyl-ethylcarbamoyl}-methyl)-phosphonic acid monoethyl ester (1.5 hydrate) | CHEMBL83244
Type:
Small organic molecule
Emp. Form.:
C35H45N4O7P
Mol. Mass.:
664.7282
SMILES:
CCOP(O)(=O)CC(=O)N[C@H](CNC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1 |wU:10.9,TLB:30:31:33:36.37.35,THB:38:39:33:36.37.35,38:36:33:31.39.40,35:34:31:36.38.37,35:36:31:34.33.40,(26.18,-4.98,;24.95,-4.04,;23.53,-4.63,;22.31,-3.69,;23.53,-2.75,;21.37,-2.46,;20.98,-4.48,;19.65,-3.72,;19.63,-2.18,;18.32,-4.51,;18.34,-6.05,;17.02,-6.82,;15.68,-6.07,;14.35,-6.84,;14.35,-8.38,;13.02,-6.07,;13,-7.61,;13.03,-4.53,;12.13,-3.25,;10.6,-3.48,;9.92,-2.11,;11.01,-1.03,;10.95,.51,;12.23,1.35,;13.61,.62,;13.68,-.92,;12.37,-1.73,;11.67,-6.84,;10.34,-6.07,;10.34,-4.53,;9.01,-6.82,;7.68,-6.05,;7.68,-4.5,;6.35,-3.72,;5.02,-4.49,;3.04,-4.55,;4.39,-5.32,;5.86,-4.91,;4.79,-6.81,;6.33,-6.81,;5,-6.03,;19.68,-6.81,;21,-6.03,;22.34,-6.79,;22.35,-8.34,;21.02,-9.11,;19.68,-8.35,)|
Structure:
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