Reaction Details Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50007446
Substrate
n/a
Meas. Tech.
ChEBML_50177
IC50
950±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:
BDBM50007446
Synonyms:
CHEMBL335914 | N-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-3-phenyl-propyl}-succinamic acid
Type:
Small organic molecule
Emp. Form.:
C36H44N4O6
Mol. Mass.:
628.7578
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](CNC(=O)CCC(O)=O)Cc1ccccc1 |wU:21.28,17.19,29.33,1.0,wD:1.13,19.20,23.24,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(5.95,-4.92,;5.95,-3.38,;5.95,-1.84,;7.06,-.78,;6.14,.47,;7.06,1.72,;8.51,1.24,;9.85,2.01,;11.18,1.24,;11.18,-.3,;9.85,-1.07,;8.51,-.3,;4.65,-4.18,;3.3,-3.41,;3.28,-1.87,;1.97,-4.18,;.43,-4.18,;-.28,-5.53,;-1.76,-6.2,;-2.76,-5.05,;-4.29,-4.73,;-2.63,-4.15,;-1.96,-2.83,;-.55,-3.03,;-2.04,-3.64,;-1.69,-5.21,;7.29,-4.15,;7.29,-5.69,;8.63,-3.38,;9.96,-4.15,;9.96,-5.69,;8.63,-6.46,;9.14,-7.9,;10.65,-8.19,;8.15,-9.06,;6.64,-8.8,;5.63,-9.96,;6.14,-11.4,;4.11,-9.67,;11.29,-3.35,;12.62,-4.12,;13.96,-3.35,;15.28,-4.12,;15.3,-5.66,;13.96,-6.43,;12.62,-5.66,)|
Structure:
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