Reaction Details Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50006868
Substrate
n/a
Meas. Tech.
ChEBML_49401
IC50
850±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:
BDBM50006868
Synonyms:
(2-(1H-Indol-3-yl)-1-methyl-1-{2-phenyl-2-[3-(2H-[1,2,4]triazol-3-ylsulfanyl)-propionylamino]-ethylcarbamoyl}-ethyl)-carbamic acid adamantan-2-yl ester (hydrate) | CHEMBL407857
Type:
Small organic molecule
Emp. Form.:
C36H43N7O4S
Mol. Mass.:
669.836
SMILES:
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCSc1nnc[nH]1)c1ccccc1 |wU:30.35,TLB:15:16:18:21.22.20,THB:20:19:16:21.23.22,20:21:16:19.18.25,23:24:18:21.22.20,23:21:18:16.24.25,(12.99,-8.61,;12.99,-7.06,;12.99,-5.53,;12.1,-4.25,;10.58,-4.49,;9.9,-3.1,;10.98,-2.02,;10.92,-.49,;12.21,.34,;13.58,-.38,;13.65,-1.91,;12.35,-2.73,;11.65,-7.83,;10.32,-7.06,;10.32,-5.52,;8.98,-7.81,;7.65,-7.04,;7.65,-5.49,;6.33,-4.72,;4.99,-5.49,;3.02,-5.54,;4.34,-6.31,;5.84,-5.91,;4.77,-7.81,;6.31,-7.81,;4.98,-7.02,;14.32,-7.84,;14.32,-9.38,;15.64,-7.06,;16.98,-7.81,;18.31,-7.04,;18.29,-5.51,;19.63,-4.72,;19.6,-3.17,;20.96,-5.47,;22.3,-4.7,;23.65,-5.45,;25,-6.22,;25.18,-7.74,;26.68,-8.05,;27.45,-6.71,;26.4,-5.56,;19.64,-7.81,;19.65,-9.34,;20.99,-10.11,;22.32,-9.33,;22.3,-7.78,;20.96,-7.03,)|
Structure:
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