Reaction Details Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50368603
Substrate
n/a
Meas. Tech.
ChEBML_50060
IC50
780±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:
BDBM50368603
Synonyms:
CHEMBL1237153
Type:
Small organic molecule
Emp. Form.:
C31H37N3O4
Mol. Mass.:
515.6432
SMILES:
OCC(Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |r,wU:33.41,31.33,35.39,wD:29.32,TLB:27:28:37.33.32:30,THB:34:33:28.36.35:30,34:35:37.33.32:30,(-1.5,-4.52,;-2.98,-4.08,;-3.35,-2.59,;-4.82,-2.15,;-5.94,-3.22,;-5.57,-4.71,;-6.69,-5.78,;-8.17,-5.34,;-8.53,-3.85,;-7.42,-2.78,;-2.23,-1.52,;-3.41,-.53,;-.75,-1.96,;.36,-.89,;-0,.6,;-1.48,1.04,;-2.7,.1,;-3.97,.96,;-3.54,2.44,;-4.35,3.75,;-3.62,5.11,;-2.08,5.15,;-1.27,3.84,;-2,2.49,;1.84,-1.33,;2.95,-.26,;2.59,1.23,;4.43,-.7,;5.54,.37,;6.92,1.06,;8.29,.37,;9.13,1.84,;9.13,3.24,;7.76,3.93,;6.38,3.24,;6.38,1.84,;7.76,1.14,;6.92,2.46,)|
Structure:
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