Reaction Details Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50290401
Substrate
n/a
Meas. Tech.
ChEMBL_50046 (CHEMBL662415)
IC50
13±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:
BDBM50290401
Synonyms:
1-(3-Acetyl-phenyl)-3-[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]-urea | CHEMBL50215
Type:
Small organic molecule
Emp. Form.:
C35H36FN5O4
Mol. Mass.:
609.6898
SMILES:
CC(=O)c1cccc(NC(=O)NC2N=C(c3ccccc3F)c3cccc(C)c3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 |t:13,(12.91,-6.84,;11.37,-6.87,;10.58,-5.54,;10.6,-8.2,;11.37,-9.53,;10.6,-10.86,;9.08,-10.86,;8.33,-9.54,;6.79,-9.54,;5.47,-10.31,;5.47,-11.85,;4.11,-9.57,;2.78,-10.34,;2.11,-11.74,;.61,-12.07,;.28,-13.59,;-1.21,-14.07,;-1.56,-15.57,;-.4,-16.62,;1.08,-16.14,;1.42,-14.64,;2.88,-14.16,;-.6,-11.14,;-1.95,-11.92,;-3.28,-11.15,;-3.28,-9.6,;-1.95,-8.8,;-1.98,-7.26,;-.6,-9.57,;.54,-8.55,;-.11,-7.12,;.79,-5.89,;2.33,-6.03,;.15,-4.48,;-1.37,-4.44,;-2.29,-3.2,;-1.91,-1.71,;-.53,-1.07,;.85,-1.78,;-.6,-2.1,;-.81,-3.6,;1.17,-3.29,;2.11,-8.96,;3.06,-7.75,;9.06,-8.22,)|
Structure:
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