Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50006875
Substrate
n/a
Meas. Tech.
ChEBML_48250
IC50
1.7±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:
BDBM50006875
Synonyms:
CHEMBL263969 | N-{(S)-2-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-1-phenyl-ethyl}-succinamic acid | N-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-1-phenyl-ethyl}-succinamic acid | PD-136621
Type:
Small organic molecule
Emp. Form.:
C35H42N4O6
Mol. Mass.:
614.7312
SMILES:
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(O)=O)c1ccccc1 |wU:30.35,TLB:15:16:18:21.22.20,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:19:16:21.23.22,20:21:16:19.18.25,(5.02,-9.99,;5.02,-8.45,;5.04,-6.91,;4.14,-5.65,;2.62,-5.88,;1.94,-4.5,;3.02,-3.41,;2.96,-1.87,;4.25,-1.05,;5.63,-1.76,;5.69,-3.3,;4.39,-4.13,;3.69,-9.22,;2.36,-8.45,;2.36,-6.91,;1.01,-9.22,;-.32,-8.43,;-.32,-6.89,;-1.63,-6.11,;-2.98,-6.87,;-4.94,-6.94,;-3.61,-7.71,;-2.12,-7.3,;-3.2,-9.2,;-1.66,-9.2,;-2.99,-8.41,;6.35,-9.22,;6.35,-10.76,;7.68,-8.45,;9.03,-9.22,;10.34,-8.43,;10.34,-6.89,;11.67,-6.11,;11.65,-4.57,;13,-6.87,;14.33,-6.07,;15.66,-6.84,;16.99,-6.05,;15.69,-8.38,;11.69,-9.2,;11.7,-10.74,;13.03,-11.5,;14.36,-10.72,;14.35,-9.18,;13,-8.41,)|
Structure:
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