Reaction Details Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50290395
Substrate
n/a
Meas. Tech.
ChEMBL_50046 (CHEMBL662415)
IC50
5.1±n/a nM
Citation
 Tabuchi, S; Ito, H; Sogabe, H; Kuno, M; Katsumi, I; Yamamoto, N; Mitsui, H; Satoh, Y Dual CCK-A and -B receptor antagonists (I) C9-methyl-1,4-benzodiazepines Bioorg Med Chem Lett 7:169-174 (1997)    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:
BDBM50290395
Synonyms:
1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl]-5-(2-fluoro-phenyl)-9-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-3-(3-bromo-phenyl)-urea | CHEMBL299523
Type:
Small organic molecule
Emp. Form.:
C33H33BrFN5O3
Mol. Mass.:
646.549
SMILES:
Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(Br)c1)N=C2c1ccccc1F |c:38,(1.92,-5.86,;1.94,-7.42,;.61,-8.19,;.61,-9.76,;1.94,-10.53,;3.3,-9.73,;3.3,-8.17,;4.42,-7.16,;3.79,-5.74,;4.67,-4.49,;6.21,-4.64,;4.04,-3.09,;5.06,-1.9,;4.74,-.38,;3.37,.32,;1.98,-.33,;1.59,-1.82,;3.08,-2.22,;3.3,-.71,;2.53,-3.04,;6,-7.56,;6.95,-6.35,;6.67,-8.96,;8.01,-8.17,;9.35,-8.92,;9.36,-10.46,;10.68,-8.15,;12.22,-8.15,;12.97,-9.47,;14.49,-9.47,;15.26,-8.14,;14.49,-6.79,;15.25,-5.48,;12.95,-6.82,;6,-10.35,;4.51,-10.68,;4.16,-12.18,;2.69,-12.67,;2.34,-14.18,;3.5,-15.23,;4.98,-14.75,;5.32,-13.25,;6.77,-12.76,)|
Structure:
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