Reaction Details Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50006879
Substrate
n/a
Meas. Tech.
ChEBML_49401
IC50
5200±n/a nM
Citation
 Drysdale, MJ; Pritchard, MC; Horwell, DC Rationally designed"dipeptoid" analogues of CCK. Acid mimics of the potent and selective non-peptide CCK-B receptor antagonist CI-988. J Med Chem 35:2573-81 (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:
BDBM50006879
Synonyms:
({2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-1-phenyl-ethylcarbamoyl}-methyl)-phosphonic acid (1.5 hydrate) | CHEMBL315055
Type:
Small organic molecule
Emp. Form.:
C33H41N4O7P
Mol. Mass.:
636.675
SMILES:
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CP(O)(O)=O)c1ccccc1 |wU:30.35,TLB:15:16:18:21.22.20,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:19:16:21.23.22,20:21:16:19.18.25,(8.8,-9.36,;8.82,-7.82,;8.83,-6.28,;7.93,-5,;6.4,-5.23,;5.72,-3.86,;6.81,-2.78,;6.75,-1.24,;8.03,-.4,;9.41,-1.13,;9.48,-2.67,;8.17,-3.48,;7.47,-8.59,;6.14,-7.82,;6.14,-6.28,;4.81,-8.57,;3.48,-7.8,;3.48,-6.25,;2.15,-5.47,;.82,-6.24,;-1.16,-6.3,;.19,-7.07,;1.66,-6.66,;.59,-8.56,;2.13,-8.56,;.8,-7.78,;10.15,-8.59,;10.15,-10.13,;11.48,-7.82,;12.82,-8.57,;14.14,-7.8,;14.12,-6.26,;15.45,-5.47,;15.43,-3.93,;16.78,-6.23,;18.11,-5.44,;19.21,-6.53,;19.44,-4.67,;17.34,-4.11,;15.48,-8.56,;15.48,-10.1,;16.82,-10.86,;18.15,-10.09,;18.14,-8.54,;16.8,-7.78,)|
Structure:
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