Reaction Details Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50007445
Substrate
n/a
Meas. Tech.
ChEMBL_50177 (CHEMBL662392)
IC50
18000±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:
BDBM50007445
Synonyms:
CHEMBL133101 | N-{3-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-1-phenyl-propyl}-succinamic acid
Type:
Small organic molecule
Emp. Form.:
C36H44N4O6
Mol. Mass.:
628.7578
SMILES:
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCC[C@H](NC(=O)CCC(O)=O)c1ccccc1 |wU:19.20,23.24,wD:31.36,21.28,17.19,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(6.19,-9.8,;6.2,-8.26,;6.19,-6.74,;7.28,-5.66,;6.36,-4.41,;7.28,-3.15,;8.74,-3.64,;10.07,-2.87,;11.4,-3.64,;11.4,-5.18,;10.07,-5.95,;8.74,-5.18,;4.88,-9.06,;3.53,-8.29,;3.51,-6.75,;2.19,-9.08,;.65,-9.06,;-.32,-7.9,;-1.73,-7.71,;-2.41,-9.03,;-4.06,-9.62,;-2.52,-9.92,;-1.53,-11.08,;-.05,-10.41,;-1.46,-10.08,;-1.82,-8.51,;7.52,-9.03,;7.52,-10.57,;8.85,-8.26,;10.18,-9.03,;10.18,-10.57,;11.53,-11.33,;12.87,-10.56,;14.19,-11.33,;14.19,-12.87,;15.53,-10.53,;16.85,-11.3,;18.2,-10.53,;19.52,-11.3,;18.19,-8.99,;11.53,-12.87,;10.2,-13.64,;10.21,-15.18,;11.55,-15.95,;12.88,-15.15,;12.88,-13.61,)|
Structure:
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