Reaction Details Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50455597
Substrate
n/a
Meas. Tech.
ChEMBL_49401 (CHEMBL658763)
IC50
1700±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:
BDBM50455597
Synonyms:
CHEMBL2112334
Type:
Small organic molecule
Emp. Form.:
C36H41N5O6
Mol. Mass.:
639.7406
SMILES:
[H][C@](CNC(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)(NC(=O)Cc1cc(O)no1)c1ccccc1 |wU:1.36,wD:6.7,1.0,TLB:21:22:29:25.31.26,24:25:22.23.28:29,THB:26:25:22:27.28.29,26:27:22:25.24.31,24:23:29:25.31.26,(18.39,-8.83,;17.06,-9.61,;15.75,-10.38,;14.41,-9.63,;13.08,-10.4,;13.08,-11.93,;11.76,-9.63,;11.74,-11.17,;11.76,-8.09,;10.87,-6.81,;9.34,-7.05,;8.66,-5.68,;9.75,-4.6,;9.68,-3.05,;10.97,-2.22,;12.35,-2.94,;12.41,-4.48,;11.11,-5.3,;10.42,-10.38,;9.09,-9.63,;9.09,-8.09,;7.74,-10.37,;6.42,-9.61,;5.07,-10.36,;3.54,-10.36,;3.12,-8.88,;1.79,-8.11,;3.75,-8.04,;3.75,-9.59,;5.09,-7.28,;6.42,-8.06,;4.61,-8.74,;17.05,-8.06,;18.38,-7.28,;18.37,-5.75,;19.7,-8.04,;21.05,-7.26,;21.2,-5.71,;22.7,-5.39,;23.33,-3.97,;23.5,-6.71,;22.47,-7.85,;18.39,-10.36,;19.73,-9.59,;21.06,-10.34,;21.08,-11.88,;19.75,-12.67,;18.41,-11.9,)|
Structure:
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