Reaction Details Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50449516
Substrate
n/a
Meas. Tech.
ChEMBL_40053 (CHEMBL655652)
IC50
1070±n/a nM
Citation
 Suckling, CJ; Tedford, MC; Bence, LM; Irvine, JI; WH, WH The synthesis and CCK receptor affinities of selected carboyxlic acid mimics of CI-988 - a potent and selective CCK-B antagonist Bioorg Med Chem Lett 2:45-8 (1992)   
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:
BDBM50449516
Synonyms:
CHEMBL2304152
Type:
Small organic molecule
Emp. Form.:
C35H42N8O4
Mol. Mass.:
638.7592
SMILES:
[H][C@@](CNC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)(NC(=O)CCc1nn[nH]n1)c1ccccc1 |wU:1.36,6.6,wD:6.7,1.0,TLB:28:23:31:27.29.26,28:27:22.23.24:31,THB:21:22:31:27.29.26,26:27:22:25.24.31,26:25:22:27.29.28,(14.59,-8.55,;13.05,-8.55,;11.57,-8.13,;10.15,-8.83,;9.76,-7.34,;10.85,-6.25,;8.27,-6.94,;9.17,-5.33,;7.88,-5.46,;8.37,-3.99,;7.46,-2.76,;8.37,-1.51,;9.83,-1.99,;11.15,-1.21,;12.49,-1.98,;12.49,-3.52,;11.15,-4.29,;9.83,-3.52,;6.8,-6.53,;5.71,-7.6,;6.09,-9.09,;4.2,-7.2,;3.13,-8.3,;3.29,-9.81,;1.94,-10.32,;.57,-9.97,;-.48,-11.39,;.96,-10.79,;2.43,-11.2,;.78,-9.22,;1.68,-7.87,;.38,-8.51,;13.44,-10.02,;13.84,-11.51,;12.75,-12.6,;15.32,-11.91,;15.72,-13.4,;17.03,-14.17,;17.17,-15.7,;18.68,-16.03,;19.45,-14.7,;18.45,-13.56,;13.44,-7.06,;12.35,-5.97,;12.74,-4.48,;14.24,-4.06,;15.33,-5.15,;14.93,-6.64,)|
Structure:
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