Reaction Details Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50005825
Substrate
n/a
Meas. Tech.
ChEBML_50060
IC50
1270±n/a nM
Citation
 Fincham, CI; Higginbottom, M; Hill, DR; Horwell, DC; O'Toole, JC; Ratcliffe, GS; Rees, DC; Roberts, E Amide bond replacements incorporated into CCK-B selective"dipeptoids". J Med Chem 35:1472-84 (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:
BDBM50005825
Synonyms:
CHEMBL445094 | N-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propyl]-N-phenethyl-succinamic acid;0.25H2O
Type:
Small organic molecule
Emp. Form.:
C35H43N3O5
Mol. Mass.:
585.733
SMILES:
CC(CN(CCc1ccccc1)C(=O)CCC(O)=O)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:36.45,wD:38.41,34.37,40.44,TLB:32:33:35:38.42.37,THB:39:40:35:38.42.37,39:38:35:33.40.41,37:36:33:38.42.39,(13.58,-7.52,;12.82,-6.21,;14.33,-6.08,;15.2,-7.36,;16.68,-6.91,;17.8,-7.96,;19.28,-7.51,;19.62,-6.02,;21.07,-5.57,;22.22,-6.61,;21.88,-8.12,;20.4,-8.55,;15.2,-8.91,;13.85,-9.67,;16.52,-9.68,;16.52,-11.22,;17.83,-11.99,;17.83,-13.53,;19.18,-11.24,;11.57,-5.31,;11.73,-3.77,;10.57,-2.74,;11.18,-1.33,;12.73,-1.49,;13.85,-.45,;15.33,-.91,;15.65,-2.42,;14.51,-3.47,;13.05,-3,;12.04,-7.52,;10.5,-7.51,;9.74,-6.17,;9.71,-8.83,;8.17,-8.8,;6.79,-8.22,;5.44,-8.68,;5.44,-10.18,;4.25,-11.44,;5.75,-11.02,;7.14,-11.6,;8.17,-10.32,;6.75,-10.67,;5.73,-9.45,)|
Structure:
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