Reaction Details Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50007442
Substrate
n/a
Meas. Tech.
ChEMBL_50177 (CHEMBL662392)
IC50
850±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:
BDBM50007442
Synonyms:
CHEMBL337661 | 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:21.28,17.19,1.0,wD:1.13,19.20,23.24,29.33,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(5.56,-4.95,;5.56,-3.41,;5.56,-1.87,;6.65,-.78,;5.72,.44,;6.65,1.69,;8.1,1.21,;9.44,2.01,;10.76,1.24,;10.76,-.33,;9.44,-1.1,;8.1,-.33,;4.25,-4.18,;2.9,-3.44,;2.87,-1.9,;1.55,-4.21,;.01,-4.21,;-.69,-5.56,;-2.17,-6.2,;-3.17,-5.08,;-4.71,-4.76,;-3.04,-4.18,;-2.36,-2.83,;-.95,-3.03,;-2.46,-3.67,;-2.11,-5.21,;6.88,-4.18,;6.88,-5.72,;8.22,-3.38,;9.54,-4.15,;9.54,-5.69,;8.22,-6.46,;8.74,-7.9,;10.25,-8.19,;7.74,-9.09,;6.23,-8.8,;5.21,-9.99,;5.72,-11.43,;3.7,-9.7,;10.89,-3.38,;12.2,-4.15,;13.55,-3.38,;14.87,-4.12,;14.9,-5.69,;13.55,-6.46,;12.2,-5.69,)|
Structure:
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