Reaction Details Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50005817
Substrate
n/a
Meas. Tech.
ChEBML_50060
IC50
808±n/a nM
Citation
 Fincham, CI; Higginbottom, M; Hill, DR; Horwell, DC; O'Toole, JC; Ratcliffe, GS; Rees, DC; Roberts, E Amide bond replacements incorporated into CCK-B selective"dipeptoids". J Med Chem 35:1472-84 (1992) [PubMed]  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:
BDBM50005817
Synonyms:
CHEMBL287682 | [2-(1H-Indol-3-yl)-1-methyl-1-phenethylthiocarbamoyl-ethyl]-carbamic acid adamantan-2-yl ester
Type:
Small organic molecule
Emp. Form.:
C31H37N3O2S
Mol. Mass.:
515.709
SMILES:
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=S)NCCc1ccccc1 |wU:19.20,17.29,wD:21.28,23.26,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:16.17.25:22,(13.87,-8.61,;13.1,-7.28,;11.85,-6.38,;12.01,-4.84,;10.85,-3.83,;11.49,-2.42,;13,-2.57,;14.15,-1.52,;15.6,-1.99,;15.95,-3.51,;14.8,-4.53,;13.35,-4.07,;12.33,-8.6,;10.79,-8.58,;10.04,-7.23,;10.01,-9.89,;8.47,-9.86,;7.07,-9.28,;5.72,-9.76,;5.74,-11.24,;4.53,-12.52,;6.04,-12.11,;7.44,-12.67,;8.47,-11.4,;7.06,-11.74,;6.03,-10.52,;14.63,-7.17,;15.3,-5.79,;15.5,-8.44,;17.01,-8.32,;17.88,-9.6,;19.26,-8.89,;19.31,-7.36,;20.67,-6.64,;21.99,-7.45,;21.92,-8.99,;20.54,-9.72,)|
Structure:
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