Reaction Details Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50007436
Substrate
n/a
Meas. Tech.
ChEMBL_50177 (CHEMBL662392)
IC50
740±n/a nM
Citation
 Horwell, DC; Hughes, J; Hunter, JC; Pritchard, MC; Richardson, RS; Roberts, E; Woodruff, GN Rationally designed"dipeptoid" analogues of CCK. alpha-Methyltryptophan derivatives as highly selective and orally active gastrin and CCK-B antagonists with potent anxiolytic properties. J Med Chem 34:404-14 (1991) [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:
BDBM50007436
Synonyms:
CHEMBL334346 | Succinic acid mono-{2-[2-(adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-3-phenyl-propyl} ester
Type:
Small organic molecule
Emp. Form.:
C36H43N3O7
Mol. Mass.:
629.7425
SMILES:
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](COC(=O)CCC(O)=O)Cc1ccccc1 |wU:21.28,23.26,17.19,29.33,1.0,wD:1.13,19.20,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,20:19:16:21.22.25,(16.6,-9.44,;16.5,-7.94,;16.49,-6.4,;17.58,-5.3,;16.66,-4.07,;17.58,-2.82,;19.04,-3.3,;20.37,-2.51,;21.7,-3.28,;21.7,-4.84,;20.37,-5.61,;19.04,-4.84,;15.18,-8.71,;13.83,-7.96,;13.81,-6.42,;12.49,-8.74,;10.95,-8.71,;10.25,-10.07,;8.77,-10.73,;7.78,-9.59,;6.24,-9.28,;7.89,-8.69,;8.57,-7.36,;9.98,-7.55,;8.48,-8.18,;8.83,-9.73,;17.84,-8.67,;19.16,-7.9,;17.85,-10.21,;19.2,-10.98,;19.2,-12.52,;17.88,-13.29,;17.88,-14.83,;19.23,-15.6,;16.57,-15.62,;15.22,-14.87,;13.9,-15.66,;12.56,-14.9,;13.9,-17.2,;20.51,-10.2,;21.86,-10.95,;23.18,-10.18,;24.51,-10.92,;24.52,-12.48,;23.21,-13.26,;21.86,-12.49,)|
Structure:
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