Reaction Details Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50290402
Substrate
n/a
Meas. Tech.
ChEMBL_50046 (CHEMBL662415)
IC50
7.3±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:
BDBM50290402
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-methoxy-phenyl)-urea | CHEMBL50216
Type:
Small organic molecule
Emp. Form.:
C34H36FN5O4
Mol. Mass.:
597.6791
SMILES:
COc1cccc(NC(=O)NC2N=C(c3ccccc3F)c3cccc(C)c3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 |t:12,(17.75,-5.91,;16.21,-5.93,;15.45,-7.26,;16.22,-8.59,;15.45,-9.92,;13.93,-9.92,;13.16,-8.61,;11.62,-8.61,;10.31,-9.38,;10.32,-10.92,;8.96,-8.63,;7.63,-9.41,;6.95,-10.81,;5.47,-11.13,;5.12,-12.65,;3.65,-13.13,;3.3,-14.63,;4.44,-15.68,;5.92,-15.21,;6.26,-13.7,;7.72,-13.22,;4.24,-10.2,;2.9,-10.99,;1.56,-10.22,;1.56,-8.66,;2.9,-7.87,;2.88,-6.33,;4.24,-8.64,;5.37,-7.61,;4.73,-6.19,;5.63,-4.95,;7.17,-5.09,;4.99,-3.55,;6,-2.36,;5.7,-.85,;4.24,-1.17,;4.04,-2.67,;2.55,-2.27,;2.92,-.78,;4.32,-.14,;3.48,-3.51,;6.95,-8.02,;7.89,-6.81,;13.91,-7.29,)|
Structure:
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