Reaction Details Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50006882
Substrate
n/a
Meas. Tech.
ChEBML_49401
IC50
1500±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:
Cholecystokinin receptor type A
Synonyms:
CCKAR_RAT | Cckar | Cholecystokinin peripheral | Cholecystokinin receptor | Cholecystokinin receptor type A
Type:
Enzyme Catalytic Domain
Mol. Mass.:
49676.37
Organism:
RAT
Description:
Cholecystokinin central 0 RAT::P30551
Residue:
444
Sequence:
MSHSPARQHLVESSRMDVVDSLLMNGSNITPPCELGLENETLFCLDQPQPSKEWQSALQILLYSIIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPNLLKDFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICRPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYSNLVPFTKNNNQTANMCRFLLPSDAMQQSWQTFLLLILFLLPGIVMVVAYGLISLELYQGIKFDASQKKSAKEKKPSTGSSTRYEDSDGCYLQKSRPPRKLELQQLSSGSGGSRLNRIRSSSSAANLIAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTVSAEKHLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGPPGVRGEVGEEEDGRTIRALLSRYSYSHMSTSAPPP
  
Inhibitor
Name:
BDBM50006882
Synonyms:
CHEMBL312894 | {2-(1H-Indol-3-yl)-1-[2-(3-methoxycarbamoyl-propionylamino)-2-phenyl-ethylcarbamoyl]-1-methyl-ethyl}-carbamic acid adamantan-2-yl ester (0.25 hydrate)
Type:
Small organic molecule
Emp. Form.:
C36H45N5O6
Mol. Mass.:
643.7724
SMILES:
CONC(=O)CCC(=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,(24.33,-6.87,;24.3,-5.33,;22.97,-4.55,;21.63,-5.35,;21.65,-6.9,;20.29,-4.58,;18.95,-5.36,;17.62,-4.6,;17.6,-3.07,;16.28,-5.4,;16.29,-6.93,;14.98,-7.71,;13.64,-6.94,;12.31,-7.72,;12.31,-9.26,;10.99,-6.96,;10.97,-8.49,;11,-5.42,;10.1,-4.13,;8.57,-4.37,;7.9,-3,;8.98,-1.92,;8.91,-.38,;10.2,.46,;11.58,-.27,;11.64,-1.8,;10.34,-2.62,;9.64,-7.72,;8.32,-6.94,;8.32,-5.41,;6.97,-7.71,;5.65,-6.93,;5.65,-5.39,;4.32,-4.6,;2.98,-5.37,;1.02,-5.44,;2.35,-6.19,;3.83,-5.79,;2.76,-7.69,;4.3,-7.69,;2.98,-6.91,;17.63,-7.69,;18.96,-6.92,;20.3,-7.67,;20.3,-9.22,;18.98,-9.99,;17.64,-9.23,)|
Structure:
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