Reaction Details Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50290394
Substrate
n/a
Meas. Tech.
ChEMBL_50046 (CHEMBL662415)
IC50
7.4±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:
BDBM50290394
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-chloro-phenyl)-urea | CHEMBL48563
Type:
Small organic molecule
Emp. Form.:
C33H33ClFN5O3
Mol. Mass.:
602.098
SMILES:
Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(Cl)c1)N=C2c1ccccc1F |c:38,(-2.3,-7.31,;-2.28,-8.86,;-3.61,-9.64,;-3.61,-11.2,;-2.28,-11.97,;-.93,-11.18,;-.93,-9.63,;.21,-8.61,;-.44,-7.18,;.47,-5.93,;2.01,-6.09,;-.18,-4.53,;.84,-3.34,;.52,-1.83,;-.86,-1.13,;-2.24,-1.77,;-2.61,-3.26,;-1.14,-3.66,;-.93,-2.15,;-1.69,-4.49,;1.78,-9.01,;2.73,-7.8,;2.46,-10.4,;3.79,-9.62,;5.14,-10.36,;5.14,-11.9,;6.46,-9.59,;8,-9.59,;8.75,-10.91,;10.27,-10.91,;11.04,-9.59,;10.27,-8.24,;11.04,-6.93,;8.73,-8.26,;1.78,-11.8,;.29,-12.13,;-.05,-13.63,;-1.53,-14.12,;-1.88,-15.63,;-.72,-16.68,;.75,-16.19,;1.1,-14.69,;2.55,-14.21,)|
Structure:
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