Reaction Details Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50059319
Substrate
n/a
Meas. Tech.
ChEBML_50051
IC50
1604±n/a nM
Citation
 Showell, GA; Bourrain, S; Fletcher, SR; Neduvelil, JG; Fletcher, AE; Freedman, SB; Patel, S; Smith, AJ; Marshall, GR; Graham, MI; Sohal, B; Matassa, VG C5-piperazinyl-1,4-benzodiazepines, water-soluble, orally bioa vailable CCKB/gastrin receptor antagonists Bioorg Med Chem Lett 5:3023-3026 (1995)    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:
BDBM50059319
Synonyms:
1-[(R)-5-(3-Aza-bicyclo[3.2.2]non-3-yl)-1-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-3-m-tolyl-urea | CHEMBL420783
Type:
Small organic molecule
Emp. Form.:
C26H31N5O2
Mol. Mass.:
445.5566
SMILES:
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)N1CC2CCC(CC2)C1 |wD:10.11,c:9,(-1.99,-1.96,;-1.66,-3.47,;-2.84,-4.41,;-4.17,-3.64,;-5.52,-4.43,;-5.52,-5.95,;-4.17,-6.72,;-2.84,-5.95,;-1.66,-6.91,;-.15,-6.56,;.51,-5.2,;2.05,-5.21,;2.83,-3.88,;2.06,-2.55,;4.37,-3.89,;5.14,-2.55,;6.71,-2.55,;7.48,-1.22,;6.68,.13,;5.14,.13,;4.41,1.5,;4.37,-1.22,;-.15,-3.8,;.81,-2.6,;-1.85,-8.42,;-3.34,-8.83,;-3.98,-9.96,;-3.36,-11.34,;-1.82,-11.66,;-.6,-10.63,;-2.5,-11.08,;-2.5,-9.54,;-.71,-9.12,)|
Structure:
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