Reaction Details Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50005812
Substrate
n/a
Meas. Tech.
ChEMBL_50060 (CHEMBL662429)
IC50
1970±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:
BDBM50005812
Synonyms:
CHEMBL285880 | [2-Hydroxy-1-(1H-indol-3-ylmethyl)-1-methyl-5-phenyl-pentyl]-carbamic acid adamantan-2-yl ester | [2-Hydroxy-1-(1H-indol-3-ylmethyl)-1-methyl-5-phenyl-pentyl]-carbamic acid adamantan-2-yl ester;0.5H2O
Type:
Small organic molecule
Emp. Form.:
C32H40N2O3
Mol. Mass.:
500.6716
SMILES:
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(O)CCCc1ccccc1 |wU:21.23,wD:19.27,23.24,17.29,TLB:15:16:18:21.25.20,THB:20:21:16:19.24.18,22:23:18:21.25.20,22:21:16.23.24:18,(8.5,-3.74,;7.75,-2.42,;6.5,-1.52,;6.66,.02,;5.48,1.05,;6.12,2.47,;7.65,2.3,;8.79,3.34,;10.26,2.88,;10.59,1.37,;9.43,.32,;7.99,.79,;6.96,-3.74,;5.41,-3.73,;4.67,-2.38,;4.64,-5.05,;3.1,-5.02,;3.1,-6.54,;2.07,-7.82,;.65,-7.25,;-.84,-7.66,;.36,-6.4,;.35,-4.92,;1.7,-4.44,;.65,-5.67,;1.68,-6.89,;9.27,-2.29,;9.95,-.91,;10.14,-3.58,;11.67,-3.47,;12.54,-4.74,;13.9,-4.03,;13.97,-2.49,;15.32,-1.78,;16.64,-2.6,;16.57,-4.15,;15.21,-4.87,)|
Structure:
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