Reaction Details Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50289879
Substrate
n/a
Meas. Tech.
ChEBML_50048
IC50
377±n/a nM
Citation
 Padia, JK; Bolton, GL; Hill, D; Horell, DC; Roth, BD; Trivedi, BK Synthesis and sar study of novel CCK-B antagonists Bioorg Med Chem Lett 3:2805-2810 (1993)    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:
BDBM50289879
Synonyms:
CHEMBL62205 | [(S)-2-(1H-Indol-3-yl)-1-methyl-1-phenethylcarbamoyl-ethyl]-carbamic acid adamantan-2-yl ester
Type:
Small organic molecule
Emp. Form.:
C31H37N3O3
Mol. Mass.:
499.6438
SMILES:
C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 |wU:1.0,wD:1.13,TLB:22:17:25:21.23.20,22:21:16.17.18:25,THB:20:19:16:21.23.22,20:21:16:19.18.25,15:16:25:21.23.20,(5.32,1.29,;5.32,-.26,;5.74,-1.74,;5.33,-3.23,;4.22,-4.1,;4.45,-5.49,;5.76,-5.99,;5.97,-7.37,;7.27,-7.88,;8.37,-7,;8.14,-5.62,;6.85,-5.12,;3.98,-1.04,;2.65,-.29,;2.64,1.25,;1.32,-1.06,;-.02,-1.83,;-1.35,-1.06,;-1.92,-2.3,;-1.92,-4.71,;-3.5,-4.99,;-2.68,-3.37,;-2.68,-1.83,;-1.35,-4.15,;-.02,-3.37,;-.4,-5.17,;6.67,-1.01,;6.69,-2.56,;8,-.23,;9.34,-.99,;10.67,-.21,;12.02,-.97,;13.34,-.17,;14.67,-.94,;14.69,-2.49,;13.36,-3.27,;12.03,-2.51,)|
Structure:
Search PDB for entries with ligand similarity: